methyl 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H14BrN3O2S/c1-23-16(22)12-8-6-11(7-9-12)10-24-17-19-15(20-21-17)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H,19,20,21)