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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=NC=N2)C(F)(F)F)C(=S)N

Isomeric SMILES

C1=CC(=C(C=C1N2C=NC=N2)C(F)(F)F)C(=S)N

InChI

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