4-methyl-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 4-methyl-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 1-benzyl-2-benzylsulfanyl-4-methyl-6-oxo-pyridine-3-carbonitrile CAS Name: 4-methyl-6-oxo-1-(phenylmethyl)-2-(phenylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 1-benzyl-2-benzylsulfanyl-4-methyl-6-oxopyridine-3-carbonitrile Traditional Name: 1-benzyl-2-(benzylthio)-6-keto-4-methyl-nicotinonitrile Formula: C21H18N2OS MolecularWeight: 346.44542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1C#N)SCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=C1C#N)SCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2OS/c1-16-12-20(24)23(14-17-8-4-2-5-9-17)21(19(16)13-22)25-15-18-10-6-3-7-11-18/h2-12H,14-15H2,1H3