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

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

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3O2S/c1-29-21-10-6-5-9-19(21)22-25-26-23(27(22)18-7-3-2-4-8-18)30-15-20(28)16-11-13-17(24)14-12-16/h2-14H,15H2,1H3