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

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(4-methoxyphenyl)sulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-[(4-methoxyphenyl)thio]-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-[(4-methoxyphenyl)thio]-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S2/c1-20(2)10-14-17(16(23)11-20)19(26-18(14)15-8-9-21-22-15)25-13-6-4-12(24-3)5-7-13/h4-9H,10-11H2,1-3H3,(H,21,22)