2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[4-(2-cyanophenyl)phenyl]methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[4-(2-cyanophenyl)benzyl]thio]-6-methyl-nicotinonitrile Formula: C23H17N3OS MolecularWeight: 383.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C#N)C(=O)C

InChI

InChI=1S/C23H17N3OS/c1-15-22(16(2)27)11-20(13-25)23(26-15)28-14-17-7-9-18(10-8-17)21-6-4-3-5-19(21)12-24/h3-11H,14H2,1-2H3