4-(3-nitrophenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one

Systemtic Name: 4-(3-nitrophenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one Openeye Name: 4-(3-nitrophenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one CAS Name: 4-(3-nitrophenyl)-2-(trichloromethylthio)-1,2,4-triazol-3-one IUPAC Name: 4-(3-nitrophenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one Traditional Name: 4-(3-nitrophenyl)-2-(trichloromethylthio)-1,2,4-triazol-3-one Formula: C9H5Cl3N4O3S MolecularWeight: 355.585

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C=NN(C2=O)SC(Cl)(Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C=NN(C2=O)SC(Cl)(Cl)Cl

InChI

InChI=1S/C9H5Cl3N4O3S/c10-9(11,12)20-15-8(17)14(5-13-15)6-2-1-3-7(4-6)16(18)19/h1-5H