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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C23H21N3O3S/c1-28-18-12-11-14(13-19(18)29-2)21-15-7-3-4-8-16(15)22(27)26(25-21)23-24-17-9-5-6-10-20(17)30-23/h3-6,9-13,15-16H,7-8H2,1-2H3