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

Systemtic Name: 5-ethanoyl-4-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-ethylphenyl)-2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-6-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(4-ethylphenyl)-2-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-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)CC)C#N

Isomeric SMILES

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

InChI

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