1-[3-[(4E)-4-methoxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-1-yl]pyrazol-1-yl]ethanone

Systemtic Name: 1-[3-[(4E)-4-methoxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-1-yl]pyrazol-1-yl]ethanone Openeye Name: 1-[3-[(4E)-4-methoxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-1-yl]pyrazol-1-yl]ethanone CAS Name: 1-[3-[(4E)-4-methoxyimino-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-1-yl]-1-pyrazolyl]ethanone IUPAC Name: 1-[3-[(4E)-4-methoxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-1-yl]pyrazol-1-yl]ethanone Traditional Name: 1-[3-[(4E)-6,6-dimethyl-4-methyloximino-3-(methylthio)-5,7-dihydroisobenzothiophen-1-yl]pyrazol-1-yl]ethanone Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC(=N1)C2=C3CC(CC(=NOC)C3=C(S2)SC)(C)C

Isomeric SMILES

CC(=O)N1C=CC(=N1)C2=C3CC(C/C(=N\OC)/C3=C(S2)SC)(C)C

InChI

InChI=1S/C17H21N3O2S2/c1-10(21)20-7-6-12(18-20)15-11-8-17(2,3)9-13(19-22-4)14(11)16(23-5)24-15/h6-7H,8-9H2,1-5H3/b19-13+