1-[3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-yl]-3-(2-nitrophenyl)sulfonyl-urea

Systemtic Name: 1-[3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-yl]-3-(2-nitrophenyl)sulfonyl-urea Openeye Name: 1-[3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-yl]-3-(2-nitrophenyl)sulfonyl-urea CAS Name: 1-[3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazol-5-yl]-3-(2-nitrophenyl)sulfonylurea IUPAC Name: 1-[3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-yl]-3-(2-nitrophenyl)sulfonylurea Traditional Name: 1-[3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazol-5-yl]-3-(2-nitrophenyl)sulfonyl-urea Formula: C16H9F3N8O9S2 MolecularWeight: 578.41607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC(=O)NC2=NC(=NN2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC(=O)NC2=NC(=NN2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H9F3N8O9S2/c17-16(18,19)7-5-9(26(31)32)12(10(6-7)27(33)34)37-15-21-13(22-23-15)20-14(28)24-38(35,36)11-4-2-1-3-8(11)25(29)30/h1-6H,(H3,20,21,22,23,24,28)