[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H9BrN4O3S MolecularWeight: 393.21526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(S2)Br)N3C=NN=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(S2)Br)N3C=NN=N3

InChI

InChI=1S/C14H9BrN4O3S/c15-13-6-5-12(23-13)11(20)7-22-14(21)9-1-3-10(4-2-9)19-8-16-17-18-19/h1-6,8H,7H2