5-ethanoyl-6-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-(o-tolylmethylsulfanyl)pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(2-methylphenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[(2-methylbenzyl)thio]nicotinonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=C(C=C2C#N)C(=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=C(C=C2C#N)C(=O)C)C

InChI

InChI=1S/C17H16N2OS/c1-11-6-4-5-7-14(11)10-21-17-15(9-18)8-16(13(3)20)12(2)19-17/h4-8H,10H2,1-3H3