5-cyclohexyl-4-phenyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one

Systemtic Name: 5-cyclohexyl-4-phenyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one Openeye Name: 5-cyclohexyl-4-phenyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one CAS Name: 5-cyclohexyl-4-phenyl-2-(trichloromethylthio)-1,2,4-triazolidin-3-one IUPAC Name: 5-cyclohexyl-4-phenyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one Traditional Name: 5-cyclohexyl-4-phenyl-2-(trichloromethylthio)-1,2,4-triazolidin-3-one Formula: C15H18Cl3N3OS MolecularWeight: 394.74692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2NN(C(=O)N2C3=CC=CC=C3)SC(Cl)(Cl)Cl

Isomeric SMILES

C1CCC(CC1)C2NN(C(=O)N2C3=CC=CC=C3)SC(Cl)(Cl)Cl

InChI

InChI=1S/C15H18Cl3N3OS/c16-15(17,18)23-21-14(22)20(12-9-5-2-6-10-12)13(19-21)11-7-3-1-4-8-11/h2,5-6,9-11,13,19H,1,3-4,7-8H2