6,6-dimethyl-3-(2-oxidanylpropylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-(2-oxidanylpropylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(2-hydroxypropylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(2-hydroxypropylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(2-hydroxypropylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(2-hydroxypropylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C16H20N2O2S2 MolecularWeight: 336.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C)O

Isomeric SMILES

CC(CSC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C)O

InChI

InChI=1S/C16H20N2O2S2/c1-9(19)8-21-15-13-10(6-16(2,3)7-12(13)20)14(22-15)11-4-5-17-18-11/h4-5,9,19H,6-8H2,1-3H3,(H,17,18)