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

Systemtic Name: 5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-6-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-benzylsulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-6-(phenylmethylthio)-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-benzylsulfanyl-5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-(benzylthio)-5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H22N4O3S/c1-18-24(26(32)30-21-12-6-3-7-13-21)25(20-11-8-14-22(15-20)31(33)34)23(16-28)27(29-18)35-17-19-9-4-2-5-10-19/h2-15,25,29H,17H2,1H3,(H,30,32)