(4S)-5-ethanoyl-6-methyl-4-(3-methylthiophen-2-yl)-2-(phenylsulfanylmethylsulfanyl)-3,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-5-ethanoyl-6-methyl-4-(3-methylthiophen-2-yl)-2-(phenylsulfanylmethylsulfanyl)-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-6-methyl-4-(3-methyl-2-thienyl)-2-(phenylsulfanylmethylsulfanyl)-3,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-6-methyl-4-(3-methyl-2-thiophenyl)-2-[(phenylthio)methylthio]-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-2-(phenylsulfanylmethylsulfanyl)-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-6-methyl-4-(3-methyl-2-thienyl)-2-[(phenylthio)methylthio]-3,4-dihydropyridine-3-carbonitrile Formula: C21H20N2OS3 MolecularWeight: 412.5913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(=NC(=C2C(=O)C)C)SCSC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(SC=C1)[C@H]2C(C(=NC(=C2C(=O)C)C)SCSC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N2OS3/c1-13-9-10-25-20(13)19-17(11-22)21(23-14(2)18(19)15(3)24)27-12-26-16-7-5-4-6-8-16/h4-10,17,19H,12H2,1-3H3/t17?,19-/m0/s1