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

Systemtic Name: ethyl 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-benzofuran-2-carboxylate CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-amino-1H-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=NNC(=N3)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NNC(=N3)N

InChI

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