662768 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 16 16 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 6 6 7 8 10 11 12 13 13 14 14 15 15 16 16 17 18 9 10 12 18 11 17 5 8 9 10 7 8 9 11 12 13 14 15 19 16 20 17 21 18 22 23 24 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 5.1266 2.9511 8.2862 6.0777 5.1266 7.6075 7.0239 7.0239 6.0777 4.5388 7.3346 3.5388 6.7482 2.9511 7.3374 2 8.2879 2 6.1282 3.1426 7.1468 1.4984 8.7901 1.4984 -2.0912 -2.0912 0.7805 -0.7821 -0.4731 -1.2821 -2.0869 -0.4774 -1.7821 -1.2821 0.4731 -1.2821 1.2832 -0.4731 2.0912 -0.7821 1.7805 -1.7821 1.2842 0.1165 2.6811 -0.4177 2.144 -2.1466 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 4 4 4 5 6 6 7 11 12 13 14 15 16 9 10 12 18 11 17 5 8 9 10 7 8 9 13 14 15 16 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 321 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 000003718073A000600000000000000000000000000162C4890000000000000016000001FE00001E04080000000804A5D302B11586081448AE00AA72A40493D88B6628B85D8839A60CD88E2EB2A4BD3B871928E4C81338A9869811020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-furyl)-6-(2-thienyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-furanyl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(furan-2-yl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(furan-2-yl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(furan-2-yl)-6-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(2-furyl)-6-(2-thienyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H6N4OS2/c1-3-7(16-5-1)9-12-13-11-15(9)14-10(18-11)8-4-2-6-17-8/h1-6H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VHCIKUFUDBLRGC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 273.99830317 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H6N4OS2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 274.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=COC(=C1)C2=NN=C3N2N=C(S3)C4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=COC(=C1)C2=NN=C3N2N=C(S3)C4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 113 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 273.99830317 18 0 0 0 0 0 0 0 1 1