[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C13H12BrN3O3S MolecularWeight: 370.22168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN1C=NN=C1SCC(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H12BrN3O3S/c1-17-8-15-16-13(17)21-7-12(19)20-6-11(18)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3