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

Systemtic Name: 3-[(4-propan-2-ylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-isopropylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-propan-2-ylphenyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-propan-2-ylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-isopropylbenzyl)thio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C13H15F3N4S MolecularWeight: 316.34521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C(F)(F)F

InChI

InChI=1S/C13H15F3N4S/c1-8(2)10-5-3-9(4-6-10)7-21-12-19-18-11(20(12)17)13(14,15)16/h3-6,8H,7,17H2,1-2H3