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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[3-cyano-6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[3-cyano-6-(4-fluorophenyl)-4-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridyl]thio]acetamide Formula: C27H17FN4OS2 MolecularWeight: 496.578483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H17FN4OS2/c28-19-12-10-18(11-13-19)23-14-20(17-6-2-1-3-7-17)21(15-29)26(30-23)34-16-25(33)32-27-31-22-8-4-5-9-24(22)35-27/h1-14H,16H2,(H,31,32,33)