2-[(2-cyanophenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2-cyanophenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(2-cyanophenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(2-cyanophenyl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-cyanophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(2-cyanobenzyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C16H13N3S MolecularWeight: 279.35952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=CC=C2C#N)C

InChI

InChI=1S/C16H13N3S/c1-11-7-12(2)19-16(15(11)9-18)20-10-14-6-4-3-5-13(14)8-17/h3-7H,10H2,1-2H3