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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-[(4-chlorophenyl)thio]-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(4-chlorophenyl)sulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-[(4-chlorophenyl)thio]-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C19H17ClN2OS2 MolecularWeight: 388.93408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=CC=C(C=C3)Cl)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=CC=C(C=C3)Cl)C4=CC=NN4)C

InChI

InChI=1S/C19H17ClN2OS2/c1-19(2)9-13-16(15(23)10-19)18(24-12-5-3-11(20)4-6-12)25-17(13)14-7-8-21-22-14/h3-8H,9-10H2,1-2H3,(H,21,22)