3-[2,3-bis(oxidanyl)propylsulfanyl]-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 3-[2,3-bis(oxidanyl)propylsulfanyl]-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(2,3-dihydroxypropylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(2,3-dihydroxypropylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(2,3-dihydroxypropylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(glycerylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCC(CO)O)C3=CC=NN3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCC(CO)O)C3=CC=NN3)C

InChI

InChI=1S/C16H20N2O3S2/c1-16(2)5-10-13(12(21)6-16)15(22-8-9(20)7-19)23-14(10)11-3-4-17-18-11/h3-4,9,19-20H,5-8H2,1-2H3,(H,17,18)