[2-(2-bromophenyl)-2-oxidanylidene-ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [2-(2-bromophenyl)-2-oxidanylidene-ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-(2-bromophenyl)-2-oxo-ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid [2-(2-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-bromophenyl)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid [2-(2-bromophenyl)-2-keto-ethyl] ester Formula: C18H13BrN4O5S MolecularWeight: 477.28862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O5S/c1-22-10-20-21-18(22)29-16-7-6-11(8-14(16)23(26)27)17(25)28-9-15(24)12-4-2-3-5-13(12)19/h2-8,10H,9H2,1H3