(4S)-2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-6-methyl-4-(3-pyridinyl)-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6-methyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-6-methyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carbonitrile Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC(=C(C(C2C#N)C3=CN=CC=C3)C(=O)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC(=C([C@@H](C2C#N)C3=CN=CC=C3)C(=O)C)C)C

InChI

InChI=1S/C24H23N3O2S/c1-14-7-8-18(10-15(14)2)21(29)13-30-24-20(11-25)23(19-6-5-9-26-12-19)22(17(4)28)16(3)27-24/h5-10,12,20,23H,13H2,1-4H3/t20?,23-/m1/s1