3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpentane-2,4-dione

Systemtic Name: 3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpentane-2,4-dione Openeye Name: 3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpentane-2,4-dione CAS Name: 3-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]pentane-2,4-dione IUPAC Name: 3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpentane-2,4-dione Traditional Name: 3-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]pentane-2,4-dione Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H18N2O3S/c1-12(22)18(13(2)23)25-19-20-16-6-4-5-7-17(16)21(19)14-8-10-15(24-3)11-9-14/h4-11,18H,1-3H3