(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-[2-nitro-4-(trifluoromethyl)phenyl]methanone

Systemtic Name: (5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-[2-nitro-4-(trifluoromethyl)phenyl]methanone Openeye Name: (5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-[2-nitro-4-(trifluoromethyl)phenyl]methanone CAS Name: [5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-[2-nitro-4-(trifluoromethyl)phenyl]methanone IUPAC Name: (5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-[2-nitro-4-(trifluoromethyl)phenyl]methanone Traditional Name: [5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-[2-nitro-4-(trifluoromethyl)phenyl]methanone Formula: C11H8F3N5O3S MolecularWeight: 347.27313

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN(C(=N1)N)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H8F3N5O3S/c1-23-10-16-9(15)18(17-10)8(20)6-3-2-5(11(12,13)14)4-7(6)19(21)22/h2-4H,1H3,(H2,15,16,17)