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

Systemtic Name: 4-(2,4-dimethylphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one Openeye Name: 4-(2,4-dimethylphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one CAS Name: 4-(2,4-dimethylphenyl)-2-(trichloromethylthio)-1,2,4-triazol-3-one IUPAC Name: 4-(2,4-dimethylphenyl)-2-(trichloromethylsulfanyl)-1,2,4-triazol-3-one Traditional Name: 4-(2,4-dimethylphenyl)-2-(trichloromethylthio)-1,2,4-triazol-3-one Formula: C11H10Cl3N3OS MolecularWeight: 338.6406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN(C2=O)SC(Cl)(Cl)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN(C2=O)SC(Cl)(Cl)Cl)C

InChI

InChI=1S/C11H10Cl3N3OS/c1-7-3-4-9(8(2)5-7)16-6-15-17(10(16)18)19-11(12,13)14/h3-6H,1-2H3