2-(2,2-dimethyloxan-4-yl)-4-ethylsulfanyl-phthalazin-1-one

Systemtic Name: 2-(2,2-dimethyloxan-4-yl)-4-ethylsulfanyl-phthalazin-1-one Openeye Name: 2-(2,2-dimethyltetrahydropyran-4-yl)-4-ethylsulfanyl-phthalazin-1-one CAS Name: 2-(2,2-dimethyl-4-oxanyl)-4-(ethylthio)-1-phthalazinone IUPAC Name: 2-(2,2-dimethyloxan-4-yl)-4-ethylsulfanylphthalazin-1-one Traditional Name: 2-(2,2-dimethyltetrahydropyran-4-yl)-4-(ethylthio)phthalazin-1-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=O)C2=CC=CC=C21)C3CCOC(C3)(C)C

Isomeric SMILES

CCSC1=NN(C(=O)C2=CC=CC=C21)C3CCOC(C3)(C)C

InChI

InChI=1S/C17H22N2O2S/c1-4-22-15-13-7-5-6-8-14(13)16(20)19(18-15)12-9-10-21-17(2,3)11-12/h5-8,12H,4,9-11H2,1-3H3