5-azanyl-1-[2-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfanyl-pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[2-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfanyl-pyrazole-3-carbonitrile Openeye Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfanyl-pyrazole-3-carbonitrile CAS Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-(methylthio)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfanylpyrazole-3-carbonitrile Traditional Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-(methylthio)pyrazole-3-carbonitrile Formula: C12H8ClF3N4S MolecularWeight: 332.73193

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N(N=C1C#N)C2=C(C=C(C=C2)C(F)(F)F)Cl)N

Isomeric SMILES

CSC1=C(N(N=C1C#N)C2=C(C=C(C=C2)C(F)(F)F)Cl)N

InChI

InChI=1S/C12H8ClF3N4S/c1-21-10-8(5-17)19-20(11(10)18)9-3-2-6(4-7(9)13)12(14,15)16/h2-4H,18H2,1H3