2-azanyl-N3-(3-methylphenyl)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarboxamide

Systemtic Name: 2-azanyl-N3-(3-methylphenyl)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarboxamide Openeye Name: 2-amino-6-benzylsulfanyl-N3-(m-tolyl)pyridine-3,5-dicarboxamide CAS Name: 2-amino-N3-(3-methylphenyl)-6-(phenylmethylthio)pyridine-3,5-dicarboxamide IUPAC Name: 2-amino-6-benzylsulfanyl-3-N-(3-methylphenyl)pyridine-3,5-dicarboxamide Traditional Name: 2-amino-6-(benzylthio)-N-(m-tolyl)dinicotinamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(N=C2N)SCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(N=C2N)SCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H20N4O2S/c1-13-6-5-9-15(10-13)24-20(27)16-11-17(19(23)26)21(25-18(16)22)28-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,22,25)(H2,23,26)(H,24,27)