2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(1-methyl-2-benzimidazolyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(1-methylbenzimidazol-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H13N3O2S/c1-19-14-9-5-4-8-13(14)18-17(19)23-10-20-15(21)11-6-2-3-7-12(11)16(20)22/h2-9H,10H2,1H3