2-azanyl-4-(2-methylphenyl)-6-phenacylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(2-methylphenyl)-6-phenacylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(o-tolyl)-6-phenacylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(2-methylphenyl)-6-(phenacylthio)-1,4-dihydropyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(2-methylphenyl)-6-phenacylsulfanyl-1,4-dihydropyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(o-tolyl)-6-(phenacylthio)-1,4-dihydropyridine-3,5-dicarbonitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(=C(NC(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

CC1=CC=CC=C1C2C(=C(NC(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C22H18N4OS/c1-14-7-5-6-10-16(14)20-17(11-23)21(25)26-22(18(20)12-24)28-13-19(27)15-8-3-2-4-9-15/h2-10,20,26H,13,25H2,1H3