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

Systemtic Name: 3-ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(ethylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(ethylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C15H18N2OS2 MolecularWeight: 306.44622

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C

Isomeric SMILES

CCSC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C

InChI

InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)