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

Systemtic Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-pyridin-4-ylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(4-pyridylsulfanyl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(pyridin-4-ylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-pyridin-4-ylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-1-(1H-pyrazol-5-yl)-3-(4-pyridylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3OS2/c1-18(2)9-12-15(14(22)10-18)17(23-11-3-6-19-7-4-11)24-16(12)13-5-8-20-21-13/h3-8H,9-10H2,1-2H3,(H,20,21)