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

Systemtic Name: 4-phenyl-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one Openeye Name: 4-phenyl-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one CAS Name: 4-phenyl-2-(trichloromethylthio)-1,2,4-triazol-3-one IUPAC Name: 4-phenyl-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one Traditional Name: 4-phenyl-2-(trichloromethylthio)-1,2,4-triazol-3-one Formula: C9H6Cl3N3OS MolecularWeight: 310.58744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN(C2=O)SC(Cl)(Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN(C2=O)SC(Cl)(Cl)Cl

InChI

InChI=1S/C9H6Cl3N3OS/c10-9(11,12)17-15-8(16)14(6-13-15)7-4-2-1-3-5-7/h1-6H