4-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2-diethyl-5-sulfanylidene-1,2,4-triazolidin-3-one

Systemtic Name: 4-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2-diethyl-5-sulfanylidene-1,2,4-triazolidin-3-one Openeye Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-diethyl-5-thioxo-1,2,4-triazolidin-3-one CAS Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-diethyl-5-sulfanylidene-1,2,4-triazolidin-3-one IUPAC Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-diethyl-5-sulfanylidene-1,2,4-triazolidin-3-one Traditional Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1,2-diethyl-5-thioxo-1,2,4-triazolidin-3-one Formula: C13H13ClF3N3OS MolecularWeight: 351.77503

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)N(C(=S)N1CC)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCN1C(=O)N(C(=S)N1CC)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C13H13ClF3N3OS/c1-3-18-11(21)20(12(22)19(18)4-2)8-5-6-10(14)9(7-8)13(15,16)17/h5-7H,3-4H2,1-2H3