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

Systemtic Name: methyl 5-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NNC(=N2)C3=CC=CC=C3Br)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NNC(=N2)C3=CC=CC=C3Br)C(=O)OC

InChI

InChI=1S/C16H14BrN3O3S/c1-9-12(15(21)22-2)7-10(23-9)8-24-16-18-14(19-20-16)11-5-3-4-6-13(11)17/h3-7H,8H2,1-2H3,(H,18,19,20)