ethyl 5-bromanyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 5-bromo-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilic acid ethyl ester Formula: C14H12BrN3O3S MolecularWeight: 382.23238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC=NN3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NC=NN3

InChI

InChI=1S/C14H12BrN3O3S/c1-2-20-13(19)12-10(6-22-14-16-7-17-18-14)9-5-8(15)3-4-11(9)21-12/h3-5,7H,2,6H2,1H3,(H,16,17,18)