ethyl 5-bromanyl-3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C16H16BrN3O3S MolecularWeight: 410.28554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCC1=NC(=NN1)SCC2=C(OC3=C2C=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C16H16BrN3O3S/c1-3-13-18-16(20-19-13)24-8-11-10-7-9(17)5-6-12(10)23-14(11)15(21)22-4-2/h5-7H,3-4,8H2,1-2H3,(H,18,19,20)