5-ethanoyl-6-methyl-2-(phenylmethylsulfanyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(phenylmethylsulfanyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-benzylsulfanyl-6-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(phenylmethylthio)-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-benzylsulfanyl-6-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(benzylthio)-6-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carbonitrile Formula: C20H18N2OS2 MolecularWeight: 366.49972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CS3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CS3)C(=O)C

InChI

InChI=1S/C20H18N2OS2/c1-13-18(14(2)23)19(17-9-6-10-24-17)16(11-21)20(22-13)25-12-15-7-4-3-5-8-15/h3-10,19,22H,12H2,1-2H3