2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]acetamide Formula: C27H20BrN3OS MolecularWeight: 514.4362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H20BrN3OS/c28-22-13-11-21(12-14-22)25-15-23(20-9-5-2-6-10-20)24(16-29)27(31-25)33-18-26(32)30-17-19-7-3-1-4-8-19/h1-15H,17-18H2,(H,30,32)