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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-[3-(4-methoxy-2-methyl-phenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[5-[3-(4-methoxy-2-methyl-phenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-[3-(4-methoxy-2-methylphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-[3-(4-methoxy-2-methylphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[5-[3-(4-methoxy-2-methyl-phenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)CCCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OC)CCCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3O2S/c1-15-13-19(28-3)12-9-16(15)5-4-6-21-24-25-22(26(21)2)29-14-20(27)17-7-10-18(23)11-8-17/h7-13H,4-6,14H2,1-3H3