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

Systemtic Name: 6,6-dimethyl-3-propan-2-ylsulfanyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(propan-2-ylthio)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-propan-2-ylsulfanyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(isopropylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C16H20N2OS2 MolecularWeight: 320.4728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2OS2/c1-9(2)20-15-13-10(7-16(3,4)8-12(13)19)14(21-15)11-5-6-17-18-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)