5-ethanoyl-6-methyl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-(4-pyridylmethylsulfanyl)pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(pyridin-4-ylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(4-pyridylmethylthio)nicotinonitrile Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC=NC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC=NC=C2)C#N)C(=O)C

InChI

InChI=1S/C15H13N3OS/c1-10-14(11(2)19)7-13(8-16)15(18-10)20-9-12-3-5-17-6-4-12/h3-7H,9H2,1-2H3