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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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