3-(2,2-dimethyloxan-4-yl)-1-ethylsulfanyl-spiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]-4-one

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-1-ethylsulfanyl-spiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]-4-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-1-ethylsulfanyl-spiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]-4-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-1-(ethylthio)-4-spiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]one IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-1-ethylsulfanylspiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]-4-one Traditional Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-1-(ethylthio)spiro[5H-benzo[f]phthalazine-6,1'-cyclohexane]-4-one Formula: C26H34N2O2S MolecularWeight: 438.62536

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=O)C2=C1C3=CC=CC=C3C4(C2)CCCCC4)C5CCOC(C5)(C)C

Isomeric SMILES

CCSC1=NN(C(=O)C2=C1C3=CC=CC=C3C4(C2)CCCCC4)C5CCOC(C5)(C)C

InChI

InChI=1S/C26H34N2O2S/c1-4-31-23-22-19-10-6-7-11-21(19)26(13-8-5-9-14-26)17-20(22)24(29)28(27-23)18-12-15-30-25(2,3)16-18/h6-7,10-11,18H,4-5,8-9,12-17H2,1-3H3