ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-(3-cyanopropylthio)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(3-cyanopropylsulfanyl)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-(3-cyanopropylthio)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)SCCCC#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)SCCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H22N4O4S/c1-2-33-25(30)22-21(18-11-8-12-19(15-18)29(31)32)20(16-27)24(34-14-7-6-13-26)28-23(22)17-9-4-3-5-10-17/h3-5,8-12,15,21,28H,2,6-7,14H2,1H3