3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[[4-(1-pyrazolyl)phenyl]methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-pyrazol-1-ylbenzyl)thio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C13H11F3N6S MolecularWeight: 340.32685

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CSC3=NN=C(N3N)C(F)(F)F

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CSC3=NN=C(N3N)C(F)(F)F

InChI

InChI=1S/C13H11F3N6S/c14-13(15,16)11-19-20-12(22(11)17)23-8-9-2-4-10(5-3-9)21-7-1-6-18-21/h1-7H,8,17H2