5-ethanoyl-4-(4-ethylphenyl)-6-methyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-4-(4-ethylphenyl)-6-methyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(4-ethylphenyl)-6-methyl-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-ethylphenyl)-6-methyl-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(4-ethylphenyl)-6-methyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(4-ethylphenyl)-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C25H23N3O4S/c1-4-17-8-10-18(11-9-17)24-21(13-26)25(27-15(2)23(24)16(3)29)33-14-22(30)19-6-5-7-20(12-19)28(31)32/h5-12,24,27H,4,14H2,1-3H3