2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)benzenecarbothioamide Openeye Name: 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)benzenecarbothioamide CAS Name: 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)benzenecarbothioamide IUPAC Name: 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)benzenecarbothioamide Traditional Name: 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)thiobenzamide Formula: C10H7F3N4S MolecularWeight: 272.24959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)C(=S)N)N2C=NC=N2

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)C(=S)N)N2C=NC=N2

InChI

InChI=1S/C10H7F3N4S/c11-10(12,13)6-1-2-8(7(3-6)9(14)18)17-5-15-4-16-17/h1-5H,(H2,14,18)