5-azanyl-N-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-N-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-1-carbothioamide Formula: C11H10F3N5S MolecularWeight: 301.29081

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C11H10F3N5S/c1-16-10(20)19-9(15)17-8(18-19)6-2-4-7(5-3-6)11(12,13)14/h2-5H,1H3,(H,16,20)(H2,15,17,18)