N-(1,3-benzothiazol-2-yl)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]butyramide Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C19H18N4OS2/c1-4-15(25-18-13(10-20)11(2)9-12(3)21-18)17(24)23-19-22-14-7-5-6-8-16(14)26-19/h5-9,15H,4H2,1-3H3,(H,22,23,24)