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

Systemtic Name: 3-hexylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-hexylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(hexylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-hexylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(hexylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C19H26N2OS2 MolecularWeight: 362.55254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C

Isomeric SMILES

CCCCCCSC1=C2C(=C(S1)C3=CC=NN3)CC(CC2=O)(C)C

InChI

InChI=1S/C19H26N2OS2/c1-4-5-6-7-10-23-18-16-13(11-19(2,3)12-15(16)22)17(24-18)14-8-9-20-21-14/h8-9H,4-7,10-12H2,1-3H3,(H,20,21)