4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-(thian-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-(thian-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-tetrahydrothiopyran-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-(4-thianyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-(thian-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(7-methoxy-2,2-dimethyl-coumaran-4-yl)-2-tetrahydrothiopyran-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C24H30N2O3S MolecularWeight: 426.5716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5CCSCC5)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5CCSCC5)C

InChI

InChI=1S/C24H30N2O3S/c1-24(2)14-19-17(8-9-20(28-3)22(19)29-24)21-16-6-4-5-7-18(16)23(27)26(25-21)15-10-12-30-13-11-15/h4-5,8-9,15-16,18H,6-7,10-14H2,1-3H3