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

Systemtic Name: 3-(1H-imidazol-2-ylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(1H-imidazol-2-ylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(1H-imidazol-2-ylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(1H-imidazol-2-ylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(1H-imidazol-2-ylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NC=CN3)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NC=CN3)C4=CC=NN4)C

InChI

InChI=1S/C16H16N4OS2/c1-16(2)7-9-12(11(21)8-16)14(23-15-17-5-6-18-15)22-13(9)10-3-4-19-20-10/h3-6H,7-8H2,1-2H3,(H,17,18)(H,19,20)