4-(3,4-dimethoxyphenyl)-2-(thian-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(thian-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-tetrahydrothiopyran-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-(4-thianyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(thian-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-tetrahydrothiopyran-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCSCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCSCC4)OC

InChI

InChI=1S/C21H26N2O3S/c1-25-18-8-7-14(13-19(18)26-2)20-16-5-3-4-6-17(16)21(24)23(22-20)15-9-11-27-12-10-15/h3-4,7-8,13,15-17H,5-6,9-12H2,1-2H3