2,2-dimethyl-5-sulfanyl-4-(1,2,4-triazol-1-yl)-5-(trichloromethyl)heptan-3-one

Systemtic Name: 2,2-dimethyl-5-sulfanyl-4-(1,2,4-triazol-1-yl)-5-(trichloromethyl)heptan-3-one Openeye Name: 2,2-dimethyl-5-sulfanyl-4-(1,2,4-triazol-1-yl)-5-(trichloromethyl)heptan-3-one CAS Name: 5-mercapto-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-5-(trichloromethyl)-3-heptanone IUPAC Name: 2,2-dimethyl-5-sulfanyl-4-(1,2,4-triazol-1-yl)-5-(trichloromethyl)heptan-3-one Traditional Name: 5-mercapto-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-5-(trichloromethyl)heptan-3-one Formula: C12H18Cl3N3OS MolecularWeight: 358.71482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)C(C)(C)C)N1C=NC=N1)(C(Cl)(Cl)Cl)S

Isomeric SMILES

CCC(C(C(=O)C(C)(C)C)N1C=NC=N1)(C(Cl)(Cl)Cl)S

InChI

InChI=1S/C12H18Cl3N3OS/c1-5-11(20,12(13,14)15)8(9(19)10(2,3)4)18-7-16-6-17-18/h6-8,20H,5H2,1-4H3