2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-5-(trifluoromethyl)aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)CSC2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CC1=NN=C(N1C)CSC2=C(C=C(C=C2)C(F)(F)F)N

InChI

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