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

Systemtic Name: ethyl 5-bromanyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C15H14BrN3O3S MolecularWeight: 396.25896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3O3S/c1-3-21-14(20)13-11(7-23-15-18-17-8-19(15)2)10-6-9(16)4-5-12(10)22-13/h4-6,8H,3,7H2,1-2H3