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

Systemtic Name: 3-(3-chloranylpropylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(3-chloropropylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(3-chloropropylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(3-chloropropylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(3-chloropropylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C16H19ClN2OS2 MolecularWeight: 354.91786

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCCCl)C3=CC=NN3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCCCl)C3=CC=NN3)C

InChI

InChI=1S/C16H19ClN2OS2/c1-16(2)8-10-13(12(20)9-16)15(21-7-3-5-17)22-14(10)11-4-6-18-19-11/h4,6H,3,5,7-9H2,1-2H3,(H,18,19)