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

Systemtic Name: 2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-(3-methylphenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(m-tolyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-6-methyl-4-(3-methylphenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(3-methylphenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-6-methyl-4-(m-tolyl)-1,4-dihydropyridine-3-carbonitrile Formula: C26H26N2O2S MolecularWeight: 430.56184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC(=CC=C3)C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC(=CC=C3)C)C#N)C

InChI

InChI=1S/C26H26N2O2S/c1-15-7-6-8-21(11-15)25-22(13-27)26(28-18(4)24(25)19(5)29)31-14-23(30)20-10-9-16(2)17(3)12-20/h6-12,25,28H,14H2,1-5H3