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

Systemtic Name: 3-(2-methoxyethylsulfanyl)-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 3-(2-methoxyethylsulfanyl)-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 3-(2-methoxyethylthio)-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 3-(2-methoxyethylsulfanyl)-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 3-(2-methoxyethylthio)-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C14H16N2O2S2 MolecularWeight: 308.41904

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=C2C(=C(S1)C3=CC=NN3)CCCC2=O

Isomeric SMILES

COCCSC1=C2C(=C(S1)C3=CC=NN3)CCCC2=O

InChI

InChI=1S/C14H16N2O2S2/c1-18-7-8-19-14-12-9(3-2-4-11(12)17)13(20-14)10-5-6-15-16-10/h5-6H,2-4,7-8H2,1H3,(H,15,16)