3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(1,3-diphenylpyrazol-4-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C19H15F3N6S MolecularWeight: 416.42281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=C(N3N)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=C(N3N)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C19H15F3N6S/c20-19(21,22)17-24-25-18(28(17)23)29-12-14-11-27(15-9-5-2-6-10-15)26-16(14)13-7-3-1-4-8-13/h1-11H,12,23H2