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

Systemtic Name: 2-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C23H16ClN3O2S MolecularWeight: 433.91004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H16ClN3O2S/c24-16-10-11-20-19(12-16)25-23(26(20)13-15-6-2-1-3-7-15)30-14-27-21(28)17-8-4-5-9-18(17)22(27)29/h1-12H,13-14H2