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

Systemtic Name: 5-pentan-2-yl-4-phenyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one Openeye Name: 5-(1-methylbutyl)-4-phenyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one CAS Name: 5-pentan-2-yl-4-phenyl-2-(trichloromethylthio)-1,2,4-triazolidin-3-one IUPAC Name: 5-pentan-2-yl-4-phenyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one Traditional Name: 5-(1-methylbutyl)-4-phenyl-2-(trichloromethylthio)-1,2,4-triazolidin-3-one Formula: C14H18Cl3N3OS MolecularWeight: 382.73622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1NN(C(=O)N1C2=CC=CC=C2)SC(Cl)(Cl)Cl

Isomeric SMILES

CCCC(C)C1NN(C(=O)N1C2=CC=CC=C2)SC(Cl)(Cl)Cl

InChI

InChI=1S/C14H18Cl3N3OS/c1-3-7-10(2)12-18-20(22-14(15,16)17)13(21)19(12)11-8-5-4-6-9-11/h4-6,8-10,12,18H,3,7H2,1-2H3