6,6-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-(4-phenylthiazol-2-yl)sulfanyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-[(4-phenyl-2-thiazolyl)thio]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-[(4-phenylthiazol-2-yl)thio]-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C22H19N3OS3 MolecularWeight: 437.60076

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NC(=CS3)C4=CC=CC=C4)C5=CC=NN5)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NC(=CS3)C4=CC=CC=C4)C5=CC=NN5)C

InChI

InChI=1S/C22H19N3OS3/c1-22(2)10-14-18(17(26)11-22)20(28-19(14)15-8-9-23-25-15)29-21-24-16(12-27-21)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,23,25)