2,6-ditert-butyl-4-[1-(2-methylsulfanylethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[1-(2-methylsulfanylethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[1-(2-methylsulfanylethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[1-[2-(methylthio)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[1-(2-methylsulfanylethyl)-2H-pyrazolo[3,4-b]pyridin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[1-[2-(methylthio)ethyl]-2H-pyrazolo[3,4-b]pyridin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C3=C(N=CC=C3)N(N2)CCSC)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C3=C(N=CC=C3)N(N2)CCSC)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C23H31N3OS/c1-22(2,3)17-13-15(14-18(20(17)27)23(4,5)6)19-16-9-8-10-24-21(16)26(25-19)11-12-28-7/h8-10,13-14,25H,11-12H2,1-7H3