[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methylazanium

Systemtic Name: [5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methylazanium Openeye Name: [5-thioxo-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methylammonium CAS Name: [5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methylammonium IUPAC Name: [5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methylazanium Traditional Name: [5-thioxo-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methylammonium Formula: C10H10F3N4S+ MolecularWeight: 275.27341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=NNC2=S)C[NH3+])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=NNC2=S)C[NH3+])C(F)(F)F

InChI

InChI=1S/C10H9F3N4S/c11-10(12,13)6-2-1-3-7(4-6)17-8(5-14)15-16-9(17)18/h1-4H,5,14H2,(H,16,18)/p+1