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

Systemtic Name: ethyl 3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-benzofuran-2-carboxylate CAS Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-5-bromo-coumarilic acid ethyl ester Formula: C14H13BrN4O3S MolecularWeight: 397.24702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=CN3N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=CN3N

InChI

InChI=1S/C14H13BrN4O3S/c1-2-21-13(20)12-10(6-23-14-18-17-7-19(14)16)9-5-8(15)3-4-11(9)22-12/h3-5,7H,2,6,16H2,1H3