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

Systemtic Name: 2-[[4-(4-bromophenyl)-3-cyano-1H-pyrrol-2-yl]sulfanyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[4-(4-bromophenyl)-3-cyano-1H-pyrrol-2-yl]sulfanyl]benzamide CAS Name: 2-[[4-(4-bromophenyl)-3-cyano-1H-pyrrol-2-yl]thio]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[4-(4-bromophenyl)-3-cyano-1H-pyrrol-2-yl]sulfanyl]benzamide Traditional Name: N-benzyl-2-[[4-(4-bromophenyl)-3-cyano-1H-pyrrol-2-yl]thio]benzamide Formula: C25H18BrN3OS MolecularWeight: 488.39892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SC3=C(C(=CN3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SC3=C(C(=CN3)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C25H18BrN3OS/c26-19-12-10-18(11-13-19)22-16-29-25(21(22)14-27)31-23-9-5-4-8-20(23)24(30)28-15-17-6-2-1-3-7-17/h1-13,16,29H,15H2,(H,28,30)