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

Systemtic Name: ethyl 5-bromanyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(1-phenyl-5-tetrazolyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(1-phenyltetrazol-5-yl)thio]methyl]coumarilic acid ethyl ester Formula: C19H15BrN4O3S MolecularWeight: 459.3164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H15BrN4O3S/c1-2-26-18(25)17-15(14-10-12(20)8-9-16(14)27-17)11-28-19-21-22-23-24(19)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3