S-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-methyl-2-nitro-benzenecarbothioate

Systemtic Name: S-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-methyl-2-nitro-benzenecarbothioate Openeye Name: S-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl] 5-methyl-2-nitro-benzenecarbothioate CAS Name: 5-methyl-2-nitrobenzenecarbothioic acid S-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: S-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 5-methyl-2-nitrobenzenecarbothioate Traditional Name: 5-methyl-2-nitro-thiobenzoic acid S-[2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C18H12F6N2O4S MolecularWeight: 466.354299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H12F6N2O4S/c1-9-2-3-14(26(29)30)13(4-9)16(28)31-8-15(27)25-12-6-10(17(19,20)21)5-11(7-12)18(22,23)24/h2-7H,8H2,1H3,(H,25,27)