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

Systemtic Name: 2-(cyanomethylsulfanyl)-5-ethanoyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-(cyanomethylsulfanyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-(cyanomethylthio)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-(cyanomethylsulfanyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(cyanomethylthio)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile Formula: C17H15N3OS MolecularWeight: 309.3855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC#N)C#N)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC#N)C#N)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C17H15N3OS/c1-11-15(12(2)21)16(13-6-4-3-5-7-13)14(10-19)17(20-11)22-9-8-18/h3-7,16,20H,9H2,1-2H3