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

Systemtic Name: 2-[(2-cyanophenyl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(2-cyanophenyl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(2-cyanophenyl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(2-cyanophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(2-cyanobenzyl)thio]-6-methyl-nicotinonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC=CC=C2C#N)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC=CC=C2C#N)C#N)C(=O)C

InChI

InChI=1S/C17H13N3OS/c1-11-16(12(2)21)7-15(9-19)17(20-11)22-10-14-6-4-3-5-13(14)8-18/h3-7H,10H2,1-2H3