2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]butanamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylbutanamide Traditional Name: N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]butyramide Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C19H21N3OS/c1-4-17(18(23)21-12-15-8-6-5-7-9-15)24-19-16(11-20)13(2)10-14(3)22-19/h5-10,17H,4,12H2,1-3H3,(H,21,23)