4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-(2-nitro-4-triflyl-phenyl)-1,2,4-triazole-3-carbonitrile Formula: C10H4F3N5O4S MolecularWeight: 347.23007

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N2C=NN=C2C#N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N2C=NN=C2C#N

InChI

InChI=1S/C10H4F3N5O4S/c11-10(12,13)23(21,22)6-1-2-7(8(3-6)18(19)20)17-5-15-16-9(17)4-14/h1-3,5H