3-[5,5-dimethyl-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-2-yl]thiolane 1,1-dioxide

Systemtic Name: 3-[5,5-dimethyl-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-2-yl]thiolane 1,1-dioxide Openeye Name: 3-[5,5-dimethyl-3-(2-thienylmethylsulfanyl)-1H-1,2,4-triazol-2-yl]thiolane 1,1-dioxide CAS Name: 3-[5,5-dimethyl-3-(thiophen-2-ylmethylthio)-1H-1,2,4-triazol-2-yl]thiolane 1,1-dioxide IUPAC Name: 3-[5,5-dimethyl-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-2-yl]thiolane 1,1-dioxide Traditional Name: 3-[5,5-dimethyl-3-(2-thenylthio)-1H-1,2,4-triazol-2-yl]sulfolane Formula: C13H19N3O2S3 MolecularWeight: 345.50386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NN(C(=N1)SCC2=CC=CS2)C3CCS(=O)(=O)C3)C

Isomeric SMILES

CC1(NN(C(=N1)SCC2=CC=CS2)C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C13H19N3O2S3/c1-13(2)14-12(20-8-11-4-3-6-19-11)16(15-13)10-5-7-21(17,18)9-10/h3-4,6,10,15H,5,7-9H2,1-2H3