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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3OS/c1-12-3-5-14(6-4-12)17-20-21-18(22(17)2)24-11-16(23)13-7-9-15(19)10-8-13/h3-10H,11H2,1-2H3