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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-phenethyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-benzyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-phenethyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[(4-benzyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)ethanone Formula: C25H22BrN3OS MolecularWeight: 492.43068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H22BrN3OS/c26-22-14-12-21(13-15-22)23(30)18-31-25-28-27-24(16-11-19-7-3-1-4-8-19)29(25)17-20-9-5-2-6-10-20/h1-10,12-15H,11,16-18H2