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

Systemtic Name: 5-azanyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]carbonyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-methylsulfanyl-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carbonitrile CAS Name: 5-amino-3-(methylthio)-1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-methylsulfanyl-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(methylthio)-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carbonitrile Formula: C13H9F3N4OS MolecularWeight: 326.29697

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N)C(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CSC1=NN(C(=C1C#N)N)C(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H9F3N4OS/c1-22-11-9(6-17)10(18)20(19-11)12(21)7-2-4-8(5-3-7)13(14,15)16/h2-5H,18H2,1H3