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

Systemtic Name: ethyl 5-bromanyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=CN3C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=CN3C(C)C

InChI

InChI=1S/C17H18BrN3O3S/c1-4-23-16(22)15-13(12-7-11(18)5-6-14(12)24-15)8-25-17-20-19-9-21(17)10(2)3/h5-7,9-10H,4,8H2,1-3H3