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

Systemtic Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-thiophen-2-ylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(2-thienylsulfanyl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(thiophen-2-ylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-thiophen-2-ylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(2-thienylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C17H16N2OS3 MolecularWeight: 360.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=CC=CS3)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=CC=CS3)C4=CC=NN4)C

InChI

InChI=1S/C17H16N2OS3/c1-17(2)8-10-14(12(20)9-17)16(22-13-4-3-7-21-13)23-15(10)11-5-6-18-19-11/h3-7H,8-9H2,1-2H3,(H,18,19)