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

Systemtic Name: 2-azanyl-5-cyano-N-(3-methylphenyl)-6-phenacylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-N-(m-tolyl)-6-phenacylsulfanyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-N-(3-methylphenyl)-6-(phenacylthio)-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-N-(3-methylphenyl)-6-phenacylsulfanylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-N-(m-tolyl)-6-(phenacylthio)nicotinamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O2S/c1-14-6-5-9-17(10-14)25-21(28)18-11-16(12-23)22(26-20(18)24)29-13-19(27)15-7-3-2-4-8-15/h2-11H,13H2,1H3,(H2,24,26)(H,25,28)