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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C25H23ClN2O2S MolecularWeight: 450.98032

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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=C(C=C3)Cl)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)C)C)SCC(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C25H23ClN2O2S/c1-4-17-5-7-19(8-6-17)24-21(13-27)25(28-15(2)23(24)16(3)29)31-14-22(30)18-9-11-20(26)12-10-18/h5-12,24,28H,4,14H2,1-3H3