N-(1,3-benzothiazol-2-yl)-2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]acetamide Formula: C22H16N4OS2 MolecularWeight: 416.51864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H16N4OS2/c1-14-6-8-15(9-7-14)17-11-10-16(12-23)21(24-17)28-13-20(27)26-22-25-18-4-2-3-5-19(18)29-22/h2-11H,13H2,1H3,(H,25,26,27)