[2-(diethylcarbamothioylsulfanyl)-3-nitro-5-(trifluoromethyl)phenyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-(diethylcarbamothioylsulfanyl)-3-nitro-5-(trifluoromethyl)phenyl] N,N-diethylcarbamodithioate Openeye Name: [2-(diethylcarbamothioylsulfanyl)-3-nitro-5-(trifluoromethyl)phenyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[[diethylamino(sulfanylidene)methyl]thio]-3-nitro-5-(trifluoromethyl)phenyl] ester IUPAC Name: [2-(diethylcarbamothioylsulfanyl)-3-nitro-5-(trifluoromethyl)phenyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(diethylthiocarbamoylthio)-3-nitro-5-(trifluoromethyl)phenyl] ester Formula: C17H22F3N3O2S4 MolecularWeight: 485.63069

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1=CC(=CC(=C1SC(=S)N(CC)CC)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCN(CC)C(=S)SC1=CC(=CC(=C1SC(=S)N(CC)CC)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H22F3N3O2S4/c1-5-21(6-2)15(26)28-13-10-11(17(18,19)20)9-12(23(24)25)14(13)29-16(27)22(7-3)8-4/h9-10H,5-8H2,1-4H3