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

Systemtic Name: 5-azanyl-3-methylsulfanyl-1-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-methylsulfanyl-1-[2-nitro-4-(trifluoromethyl)benzoyl]pyrazole-4-carbonitrile CAS Name: 5-amino-3-(methylthio)-1-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-methylsulfanyl-1-[2-nitro-4-(trifluoromethyl)benzoyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(methylthio)-1-[2-nitro-4-(trifluoromethyl)benzoyl]pyrazole-4-carbonitrile Formula: C13H8F3N5O3S MolecularWeight: 371.29453

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN(C(=C1C#N)N)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H8F3N5O3S/c1-25-11-8(5-17)10(18)20(19-11)12(22)7-3-2-6(13(14,15)16)4-9(7)21(23)24/h2-4H,18H2,1H3