4-(4-ethoxyphenyl)-5-methyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one

Systemtic Name: 4-(4-ethoxyphenyl)-5-methyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one Openeye Name: 4-(4-ethoxyphenyl)-5-methyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-(trichloromethylthio)-1,2,4-triazolidin-3-one IUPAC Name: 4-(4-ethoxyphenyl)-5-methyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one Traditional Name: 5-methyl-4-p-phenetyl-2-(trichloromethylthio)-1,2,4-triazolidin-3-one Formula: C12H14Cl3N3O2S MolecularWeight: 370.68246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(NN(C2=O)SC(Cl)(Cl)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(NN(C2=O)SC(Cl)(Cl)Cl)C

InChI

InChI=1S/C12H14Cl3N3O2S/c1-3-20-10-6-4-9(5-7-10)17-8(2)16-18(11(17)19)21-12(13,14)15/h4-8,16H,3H2,1-2H3