5-(1,3-benzothiazol-2-yl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(1,3-benzothiazol-2-yl)-2-(4-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-(1,3-benzothiazol-2-yl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione IUPAC Name: 5-(1,3-benzothiazol-2-yl)-2-(pyridin-4-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(1,3-benzothiazol-2-yl)-2-(4-pyridylmethyl)isoindoline-1,3-quinone Formula: C21H13N3O2S MolecularWeight: 371.41182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=NC=C5

InChI

InChI=1S/C21H13N3O2S/c25-20-15-6-5-14(19-23-17-3-1-2-4-18(17)27-19)11-16(15)21(26)24(20)12-13-7-9-22-10-8-13/h1-11H,12H2