1-(4-bromophenyl)-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H20BrN3O2S/c1-24-19(15-5-3-6-17(13-15)26-2)22-23-20(24)27-12-4-7-18(25)14-8-10-16(21)11-9-14/h3,5-6,8-11,13H,4,7,12H2,1-2H3