2-[2-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[2-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-imidazole-4-carboxylic acid Openeye Name: 2-[2-[4-nitro-3-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-3-phenyl-imidazole-4-carboxylic acid CAS Name: 2-[[2-[4-nitro-3-(trifluoromethyl)anilino]-2-oxoethyl]thio]-3-phenyl-4-imidazolecarboxylic acid IUPAC Name: 2-[2-[4-nitro-3-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-3-phenylimidazole-4-carboxylic acid Traditional Name: 2-[[2-keto-2-[4-nitro-3-(trifluoromethyl)anilino]ethyl]thio]-3-phenyl-imidazole-4-carboxylic acid Formula: C19H13F3N4O5S MolecularWeight: 466.39053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CN=C2SCC(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CN=C2SCC(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H13F3N4O5S/c20-19(21,22)13-8-11(6-7-14(13)26(30)31)24-16(27)10-32-18-23-9-15(17(28)29)25(18)12-4-2-1-3-5-12/h1-9H,10H2,(H,24,27)(H,28,29)