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

Systemtic Name: 3-(2-dimethylaminoethylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(2-dimethylaminoethylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-(2-dimethylaminoethylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(2-dimethylaminoethylsulfanyl)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(2-dimethylaminoethylthio)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C17H23N3OS2 MolecularWeight: 349.51402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCN(C)C)C3=CC=NN3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCN(C)C)C3=CC=NN3)C

InChI

InChI=1S/C17H23N3OS2/c1-17(2)9-11-14(13(21)10-17)16(22-8-7-20(3)4)23-15(11)12-5-6-18-19-12/h5-6H,7-10H2,1-4H3,(H,18,19)