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

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 3-(2-hydroxyethylsulfanyl)-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 3-(2-hydroxyethylthio)-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 3-(2-hydroxyethylsulfanyl)-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 3-(2-hydroxyethylthio)-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(SC(=C2C(=O)C1)SCCO)C3=CC=NN3

Isomeric SMILES

C1CC2=C(SC(=C2C(=O)C1)SCCO)C3=CC=NN3

InChI

InChI=1S/C13H14N2O2S2/c16-6-7-18-13-11-8(2-1-3-10(11)17)12(19-13)9-4-5-14-15-9/h4-5,16H,1-3,6-7H2,(H,14,15)