5-azanyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(phenylsulfonyl)-1,2,4-triazole-1-carboxamide

Systemtic Name: 5-azanyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(phenylsulfonyl)-1,2,4-triazole-1-carboxamide Openeye Name: 5-amino-N-(benzenesulfonyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole-1-carboxamide CAS Name: 5-amino-N-(benzenesulfonyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole-1-carboxamide IUPAC Name: 5-amino-N-(benzenesulfonyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole-1-carboxamide Traditional Name: 5-amino-N-besyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole-1-carboxamide Formula: C16H11F3N6O5S2 MolecularWeight: 488.42095

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C(=NC(=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C(=NC(=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C16H11F3N6O5S2/c17-16(18,19)9-6-7-12(11(8-9)25(27)28)31-14-21-13(20)24(22-14)15(26)23-32(29,30)10-4-2-1-3-5-10/h1-8H,(H,23,26)(H2,20,21,22)