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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)COC4=CC=CC=C4

InChI

InChI=1S/C23H18BrN3O2S/c24-18-13-11-17(12-14-18)21(28)16-30-23-26-25-22(15-29-20-9-5-2-6-10-20)27(23)19-7-3-1-4-8-19/h1-14H,15-16H2