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

Systemtic Name: 4-[[3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[[3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]aniline CAS Name: 4-[[3-(ethylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[[3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]aniline Traditional Name: [4-[[3-(ethylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C12H13F3N4S MolecularWeight: 302.31863

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=C(C=C2)N)C(F)(F)F

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=C(C=C2)N)C(F)(F)F

InChI

InChI=1S/C12H13F3N4S/c1-2-20-11-18-17-10(12(13,14)15)19(11)7-8-3-5-9(16)6-4-8/h3-6H,2,7,16H2,1H3