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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C15H10BrN3O3S MolecularWeight: 392.2272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrN3O3S/c16-14-6-5-13(23-14)12(20)7-22-15(21)10-1-3-11(4-2-10)19-9-17-8-18-19/h1-6,8-9H,7H2