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

Systemtic Name: 3-[5,5-dimethyl-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazol-2-yl]thiolane 1,1-dioxide Openeye Name: 3-[5,5-dimethyl-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazol-2-yl]thiolane 1,1-dioxide CAS Name: 3-[5,5-dimethyl-3-(2-phenoxyethylthio)-1H-1,2,4-triazol-2-yl]thiolane 1,1-dioxide IUPAC Name: 3-[5,5-dimethyl-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazol-2-yl]thiolane 1,1-dioxide Traditional Name: 3-[5,5-dimethyl-3-(2-phenoxyethylthio)-1H-1,2,4-triazol-2-yl]sulfolane Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NN(C(=N1)SCCOC2=CC=CC=C2)C3CCS(=O)(=O)C3)C

Isomeric SMILES

CC1(NN(C(=N1)SCCOC2=CC=CC=C2)C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C16H23N3O3S2/c1-16(2)17-15(19(18-16)13-8-11-24(20,21)12-13)23-10-9-22-14-6-4-3-5-7-14/h3-7,13,18H,8-12H2,1-2H3