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

Systemtic Name: 6,6-dimethyl-3-(3-oxidanylbutan-2-ylsulfanyl)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(2-hydroxy-1-methyl-propyl)sulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(3-hydroxybutan-2-ylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(3-hydroxybutan-2-ylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-[(2-hydroxy-1-methyl-propyl)thio]-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C17H22N2O2S2 MolecularWeight: 350.49878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)SC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C)O

Isomeric SMILES

CC(C(C)SC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C)O

InChI

InChI=1S/C17H22N2O2S2/c1-9(20)10(2)22-16-14-11(7-17(3,4)8-13(14)21)15(23-16)12-5-6-18-19-12/h5-6,9-10,20H,7-8H2,1-4H3,(H,18,19)