4-[4-chloranyl-2-(trifluoromethyl)phenyl]-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[4-chloranyl-2-(trifluoromethyl)phenyl]-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-[4-chloro-2-(trifluoromethyl)phenyl]-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-[4-chloro-2-(trifluoromethyl)phenyl]-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazol-5-one Formula: C16H7ClF6N4O3S MolecularWeight: 484.760199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NNC(=O)N2C3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NNC(=O)N2C3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H7ClF6N4O3S/c17-8-2-3-10(9(6-8)16(21,22)23)26-13(28)24-25-14(26)31-12-4-1-7(15(18,19)20)5-11(12)27(29)30/h1-6H,(H,24,28)