3-azanyl-2-methyl-3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]propanethial hydrochloride

Systemtic Name: 3-azanyl-2-methyl-3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]propanethial hydrochloride Openeye Name: 3-amino-2-methyl-3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]propanethial hydrochloride CAS Name: 3-amino-2-methyl-3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]propanethial hydrochloride IUPAC Name: 3-amino-2-methyl-3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]propanethial hydrochloride Traditional Name: 3-amino-2-methyl-3-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]thiopropionaldehyde hydrochloride Formula: C7H10ClF3N4S MolecularWeight: 274.69431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=S)C(C1=NC(=NN1)C(F)(F)F)N.Cl

Isomeric SMILES

CC(C=S)C(C1=NC(=NN1)C(F)(F)F)N.Cl

InChI

InChI=1S/C7H9F3N4S.ClH/c1-3(2-15)4(11)5-12-6(14-13-5)7(8,9)10;/h2-4H,11H2,1H3,(H,12,13,14);1H