2-[[5-(4-bromophenyl)carbonyl-3-cyano-1H-pyrrol-2-yl]sulfanyl]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[[5-(4-bromophenyl)carbonyl-3-cyano-1H-pyrrol-2-yl]sulfanyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[5-(4-bromobenzoyl)-3-cyano-1H-pyrrol-2-yl]sulfanyl]benzamide CAS Name: 2-[[5-[(4-bromophenyl)-oxomethyl]-3-cyano-1H-pyrrol-2-yl]thio]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[5-(4-bromobenzoyl)-3-cyano-1H-pyrrol-2-yl]sulfanyl]benzamide Traditional Name: N-benzyl-2-[[5-(4-bromobenzoyl)-3-cyano-1H-pyrrol-2-yl]thio]benzamide Formula: C26H18BrN3O2S MolecularWeight: 516.40902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SC3=C(C=C(N3)C(=O)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SC3=C(C=C(N3)C(=O)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C26H18BrN3O2S/c27-20-12-10-18(11-13-20)24(31)22-14-19(15-28)26(30-22)33-23-9-5-4-8-21(23)25(32)29-16-17-6-2-1-3-7-17/h1-14,30H,16H2,(H,29,32)