3-(3-butylsulfanyl-5,5-dimethyl-1H-1,2,4-triazol-2-yl)thiolane 1,1-dioxide

Systemtic Name: 3-(3-butylsulfanyl-5,5-dimethyl-1H-1,2,4-triazol-2-yl)thiolane 1,1-dioxide Openeye Name: 3-(3-butylsulfanyl-5,5-dimethyl-1H-1,2,4-triazol-2-yl)thiolane 1,1-dioxide CAS Name: 3-[3-(butylthio)-5,5-dimethyl-1H-1,2,4-triazol-2-yl]thiolane 1,1-dioxide IUPAC Name: 3-(3-butylsulfanyl-5,5-dimethyl-1H-1,2,4-triazol-2-yl)thiolane 1,1-dioxide Traditional Name: 3-[3-(butylthio)-5,5-dimethyl-1H-1,2,4-triazol-2-yl]sulfolane Formula: C12H23N3O2S2 MolecularWeight: 305.45992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(NN1C2CCS(=O)(=O)C2)(C)C

Isomeric SMILES

CCCCSC1=NC(NN1C2CCS(=O)(=O)C2)(C)C

InChI

InChI=1S/C12H23N3O2S2/c1-4-5-7-18-11-13-12(2,3)14-15(11)10-6-8-19(16,17)9-10/h10,14H,4-9H2,1-3H3