methyl N-[[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-nitro-4-(trifluoromethyl)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-nitro-4-(trifluoromethyl)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C10H8F3N3O4S MolecularWeight: 323.24843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H8F3N3O4S/c1-20-9(17)15-8(21)14-6-3-2-5(10(11,12)13)4-7(6)16(18)19/h2-4H,1H3,(H2,14,15,17,21)