(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)Cl

InChI

InChI=1S/C20H15ClN4O2S/c1-28-17-7-4-14-8-15(19(21)24-18(14)9-17)10-27-20(26)13-2-5-16(6-3-13)25-12-22-11-23-25/h2-9,11-12H,10H2,1H3