3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2-methylquinolin-6-yl)benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2-methylquinolin-6-yl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2-methyl-6-quinolyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(2-methyl-6-quinolinyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2-methylquinolin-6-yl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(2-methyl-6-quinolyl)benzamide Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NNC(=N4)N

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NNC(=N4)N

InChI

InChI=1S/C20H18N6OS/c1-12-5-6-14-10-16(7-8-17(14)22-12)23-18(27)15-4-2-3-13(9-15)11-28-20-24-19(21)25-26-20/h2-10H,11H2,1H3,(H,23,27)(H3,21,24,25,26)