5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-2-methyl-6-(methylthio)-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O3S/c1-13-18(20(26)24-15-8-4-3-5-9-15)19(17(12-22)21(23-13)29-2)14-7-6-10-16(11-14)25(27)28/h3-11,19,23H,1-2H3,(H,24,26)