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

Systemtic Name: 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-5-(trifluoromethyl)aniline Openeye Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-5-(trifluoromethyl)aniline CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylthio]-5-(trifluoromethyl)aniline IUPAC Name: 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]-5-(trifluoromethyl)aniline Traditional Name: [2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylthio]-5-(trifluoromethyl)phenyl]amine Formula: C13H13ClF3N3S MolecularWeight: 335.77563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=C(C=C(C=C2)C(F)(F)F)N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CSC2=C(C=C(C=C2)C(F)(F)F)N)Cl)C

InChI

InChI=1S/C13H13ClF3N3S/c1-7-9(12(14)20(2)19-7)6-21-11-4-3-8(5-10(11)18)13(15,16)17/h3-5H,6,18H2,1-2H3