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

Systemtic Name: 6,6-dimethyl-3-phenylsulfanyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-phenylsulfanyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(phenylthio)-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-phenylsulfanyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-(phenylthio)-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C19H18N2OS2 MolecularWeight: 354.48902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2OS2/c1-19(2)10-13-16(15(22)11-19)18(23-12-6-4-3-5-7-12)24-17(13)14-8-9-20-21-14/h3-9H,10-11H2,1-2H3,(H,20,21)