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

Systemtic Name: 5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide CAS Name: 5-cyano-6-mercapto-2-methyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 5-cyano-2-methyl-4-(3-nitrophenyl)-N-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O3S/c1-12-17(19(25)23-14-7-3-2-4-8-14)18(16(11-21)20(28)22-12)13-6-5-9-15(10-13)24(26)27/h2-10,18,22,28H,1H3,(H,23,25)