2-azanyl-5-cyano-N-(3-methylphenyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-N-(3-methylphenyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 2-amino-6-benzylsulfanyl-5-cyano-N-(m-tolyl)pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-N-(3-methylphenyl)-6-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 2-amino-6-benzylsulfanyl-5-cyano-N-(3-methylphenyl)pyridine-3-carboxamide Traditional Name: 2-amino-6-(benzylthio)-5-cyano-N-(m-tolyl)nicotinamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(N=C(C(=C2)C#N)SCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(N=C(C(=C2)C#N)SCC3=CC=CC=C3)N

InChI

InChI=1S/C21H18N4OS/c1-14-6-5-9-17(10-14)24-20(26)18-11-16(12-22)21(25-19(18)23)27-13-15-7-3-2-4-8-15/h2-11H,13H2,1H3,(H2,23,25)(H,24,26)