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

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-1-methylsulfanyl-spiro[6H-benzo[f]phthalazine-5,1'-cyclopentane]-4-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-1-methylsulfanyl-spiro[6H-benzo[f]phthalazine-5,1'-cyclopentane]-4-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-1-(methylthio)-4-spiro[6H-benzo[f]phthalazine-5,1'-cyclopentane]one IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-1-methylsulfanylspiro[6H-benzo[f]phthalazine-5,1'-cyclopentane]-4-one Traditional Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-1-(methylthio)spiro[6H-benzo[f]phthalazine-5,1'-cyclopentane]-4-one Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)C(=N2)SC)C

Isomeric SMILES

CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)C(=N2)SC)C

InChI

InChI=1S/C24H30N2O2S/c1-23(2)15-17(10-13-28-23)26-22(27)20-19(21(25-26)29-3)18-9-5-4-8-16(18)14-24(20)11-6-7-12-24/h4-5,8-9,17H,6-7,10-15H2,1-3H3