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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=C(C=CC(=N3)C4=CC=NC=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=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)25-18(26)12-27-20-24-16-3-1-2-4-17(16)28-20/h1-10H,12H2,(H,23,25,26)