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

Systemtic Name: 2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-4-(4-ethylphenyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C27H28N2O2S MolecularWeight: 444.58842

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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)C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2S/c1-6-20-8-11-21(12-9-20)26-23(14-28)27(29-18(4)25(26)19(5)30)32-15-24(31)22-10-7-16(2)17(3)13-22/h7-13,26,29H,6,15H2,1-5H3