2-[2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C24H18ClN3O2S MolecularWeight: 447.93662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H18ClN3O2S/c25-17-10-11-21-20(14-17)26-24(28(21)15-16-6-2-1-3-7-16)31-13-12-27-22(29)18-8-4-5-9-19(18)23(27)30/h1-11,14H,12-13,15H2