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

Systemtic Name: 3-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide CAS Name: 3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-N-[2-(trifluoromethyl)phenyl]propionamide Formula: C12H12F3N5OS MolecularWeight: 331.31679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCC2=NNC(=S)N2N

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCC2=NNC(=S)N2N

InChI

InChI=1S/C12H12F3N5OS/c13-12(14,15)7-3-1-2-4-8(7)17-10(21)6-5-9-18-19-11(22)20(9)16/h1-4H,5-6,16H2,(H,17,21)(H,19,22)