2-azanyl-4-[4-ethyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-1-fluoranyl-cyclohexa-2,5-diene-1-carbothioamide

Systemtic Name: 2-azanyl-4-[4-ethyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-1-fluoranyl-cyclohexa-2,5-diene-1-carbothioamide Openeye Name: 2-amino-4-[4-ethyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-1-fluoro-cyclohexa-2,5-diene-1-carbothioamide CAS Name: 2-amino-4-[4-ethyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-1-fluoro-1-cyclohexa-2,5-dienecarbothioamide IUPAC Name: 2-amino-4-[4-ethyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-1-fluorocyclohexa-2,5-diene-1-carbothioamide Traditional Name: 2-amino-4-[4-ethyl-5-keto-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-1-fluoro-cyclohexa-2,5-diene-1-carbothioamide Formula: C12H13F4N5OS MolecularWeight: 351.323133

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=O)C2C=CC(C(=C2)N)(C(=S)N)F)C(F)(F)F

Isomeric SMILES

CCN1C(=NN(C1=O)C2C=CC(C(=C2)N)(C(=S)N)F)C(F)(F)F

InChI

InChI=1S/C12H13F4N5OS/c1-2-20-9(12(14,15)16)19-21(10(20)22)6-3-4-11(13,8(18)23)7(17)5-6/h3-6H,2,17H2,1H3,(H2,18,23)