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

Systemtic Name: 3-butan-2-ylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-sec-butylsulfanyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(butan-2-ylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-butan-2-ylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(sec-butylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C17H22N2OS2 MolecularWeight: 334.49938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2OS2/c1-5-10(2)21-16-14-11(8-17(3,4)9-13(14)20)15(22-16)12-6-7-18-19-12/h6-7,10H,5,8-9H2,1-4H3,(H,18,19)