2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)C3=CC=CN3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)C3=CC=CN3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H19BrN4OS/c23-18-10-8-17(9-11-18)21-25-26-22(29-15-20(28)19-7-4-13-24-19)27(21)14-12-16-5-2-1-3-6-16/h1-11,13,24H,12,14-15H2