6-methyl-5-[4-(phenylsulfinyl)butanoyl]-1H-benzimidazole-2-carbaldehyde

Systemtic Name: 6-methyl-5-[4-(phenylsulfinyl)butanoyl]-1H-benzimidazole-2-carbaldehyde Openeye Name: 5-[4-(benzenesulfinyl)butanoyl]-6-methyl-1H-benzimidazole-2-carbaldehyde CAS Name: 5-[4-(benzenesulfinyl)-1-oxobutyl]-6-methyl-1H-benzimidazole-2-carboxaldehyde IUPAC Name: 5-[4-(benzenesulfinyl)butanoyl]-6-methyl-1H-benzimidazole-2-carbaldehyde Traditional Name: 5-[4-(benzenesulfinyl)butanoyl]-6-methyl-1H-benzimidazole-2-carbaldehyde Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)CCCS(=O)C3=CC=CC=C3)N=C(N2)C=O

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)CCCS(=O)C3=CC=CC=C3)N=C(N2)C=O

InChI

InChI=1S/C19H18N2O3S/c1-13-10-16-17(21-19(12-22)20-16)11-15(13)18(23)8-5-9-25(24)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21)