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

Systemtic Name: methyl 5-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C15H12BrN3O3S MolecularWeight: 394.24308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C15H12BrN3O3S/c1-21-14(20)12-7-6-9(22-12)8-23-15-17-13(18-19-15)10-4-2-3-5-11(10)16/h2-7H,8H2,1H3,(H,17,18,19)