4-[[3-propylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]aniline

Systemtic Name: 4-[[3-propylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[[3-propylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]aniline CAS Name: 4-[[3-(propylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[[3-propylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]aniline Traditional Name: [4-[[3-(propylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C13H15F3N4S MolecularWeight: 316.34521

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC2=CC=C(C=C2)N)C(F)(F)F

Isomeric SMILES

CCCSC1=NN=C(N1CC2=CC=C(C=C2)N)C(F)(F)F

InChI

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