2-(cyanomethylsulfanyl)-5-ethanoyl-4-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-(cyanomethylsulfanyl)-5-ethanoyl-4-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-(cyanomethylsulfanyl)-4-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-(cyanomethylthio)-4-(4-methoxyphenyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-(cyanomethylsulfanyl)-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(cyanomethylthio)-4-(4-methoxyphenyl)-6-methyl-nicotinonitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC#N)C#N)C2=CC=C(C=C2)OC)C(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC#N)C#N)C2=CC=C(C=C2)OC)C(=O)C

InChI

InChI=1S/C18H15N3O2S/c1-11-16(12(2)22)17(13-4-6-14(23-3)7-5-13)15(10-20)18(21-11)24-9-8-19/h4-7H,9H2,1-3H3