1-[(3-methylphenyl)methyl]-4-methylsulfanyl-2-oxidanylidene-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-methylsulfanyl-2-oxidanylidene-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-methylsulfanyl-1-(m-tolylmethyl)-2-oxo-6-phenyl-pyridine-3-carbonitrile CAS Name: 1-[(3-methylphenyl)methyl]-4-(methylthio)-2-oxo-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 1-[(3-methylphenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile Traditional Name: 2-keto-1-(3-methylbenzyl)-4-(methylthio)-6-phenyl-nicotinonitrile Formula: C21H18N2OS MolecularWeight: 346.44542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC(=C(C2=O)C#N)SC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC(=C(C2=O)C#N)SC)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2OS/c1-15-7-6-8-16(11-15)14-23-19(17-9-4-3-5-10-17)12-20(25-2)18(13-22)21(23)24/h3-12H,14H2,1-2H3