5-azanyl-1-phenyl-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-phenyl-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile Openeye Name: 5-amino-1-phenyl-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile CAS Name: 5-amino-1-phenyl-4-(trifluoromethylsulfonyl)-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-phenyl-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile Traditional Name: 5-amino-1-phenyl-4-triflyl-pyrazole-3-carbonitrile Formula: C11H7F3N4O2S MolecularWeight: 316.25909

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N

InChI

InChI=1S/C11H7F3N4O2S/c12-11(13,14)21(19,20)9-8(6-15)17-18(10(9)16)7-4-2-1-3-5-7/h1-5H,16H2