2-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(1-p-phenetylbenzimidazol-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H21N3O3S/c1-2-31-18-13-11-17(12-14-18)28-22-10-6-5-9-21(22)26-25(28)32-16-15-27-23(29)19-7-3-4-8-20(19)24(27)30/h3-14H,2,15-16H2,1H3