N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-phenyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetamide Formula: C21H14N4OS2 MolecularWeight: 402.49206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N4OS2/c22-12-15-10-11-16(14-6-2-1-3-7-14)23-20(15)27-13-19(26)25-21-24-17-8-4-5-9-18(17)28-21/h1-11H,13H2,(H,24,25,26)