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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]thio]acetamide Formula: C20H13N5OS2 MolecularWeight: 403.48012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=C(C=CC(=N3)C4=CC=NC=C4)C#N

InChI

InChI=1S/C20H13N5OS2/c21-11-14-5-6-15(13-7-9-22-10-8-13)23-19(14)27-12-18(26)25-20-24-16-3-1-2-4-17(16)28-20/h1-10H,12H2,(H,24,25,26)