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

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(2-hydroxyethylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(2-hydroxyethylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C15H18N2O2S2 MolecularWeight: 322.44562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S2/c1-15(2)7-9-12(11(19)8-15)14(20-6-5-18)21-13(9)10-3-4-16-17-10/h3-4,18H,5-8H2,1-2H3,(H,16,17)