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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]thio]acetamide Formula: C27H17ClN4OS2 MolecularWeight: 513.03308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H17ClN4OS2/c28-19-12-10-17(11-13-19)20-14-23(18-6-2-1-3-7-18)30-26(21(20)15-29)34-16-25(33)32-27-31-22-8-4-5-9-24(22)35-27/h1-14H,16H2,(H,31,32,33)