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

Systemtic Name: 5-ethanoyl-6-methyl-4-phenyl-2-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-phenyl-2-(phenylmethylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(benzylthio)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile Formula: C22H20N2OS MolecularWeight: 360.472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2OS/c1-15-20(16(2)25)21(18-11-7-4-8-12-18)19(13-23)22(24-15)26-14-17-9-5-3-6-10-17/h3-12,21,24H,14H2,1-2H3