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

Systemtic Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-pyrimidin-2-ylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-pyrimidin-2-ylsulfanyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(2-pyrimidinylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-pyrimidin-2-ylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(2-pyrimidylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C17H16N4OS2 MolecularWeight: 356.46514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NC=CC=N3)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC3=NC=CC=N3)C4=CC=NN4)C

InChI

InChI=1S/C17H16N4OS2/c1-17(2)8-10-13(12(22)9-17)15(24-16-18-5-3-6-19-16)23-14(10)11-4-7-20-21-11/h3-7H,8-9H2,1-2H3,(H,20,21)