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

Systemtic Name: 2-[[4-(4-bromophenyl)-3-cyano-1H-pyrrol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[4-(4-bromophenyl)-3-cyano-1H-pyrrol-2-yl]sulfanyl]-N-(2-furylmethyl)benzamide CAS Name: 2-[[4-(4-bromophenyl)-3-cyano-1H-pyrrol-2-yl]thio]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[4-(4-bromophenyl)-3-cyano-1H-pyrrol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[[4-(4-bromophenyl)-3-cyano-1H-pyrrol-2-yl]thio]-N-(2-furfuryl)benzamide Formula: C23H16BrN3O2S MolecularWeight: 478.36104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)SC3=C(C(=CN3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)SC3=C(C(=CN3)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C23H16BrN3O2S/c24-16-9-7-15(8-10-16)20-14-27-23(19(20)12-25)30-21-6-2-1-5-18(21)22(28)26-13-17-4-3-11-29-17/h1-11,14,27H,13H2,(H,26,28)