3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-imidazole-4-carbaldehyde

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-imidazole-4-carbaldehyde Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-imidazole-4-carbaldehyde CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylthio]-2-methyl-4-imidazolecarboxaldehyde IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole-4-carbaldehyde Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(p-anisylthio)imidazole-4-carbaldehyde Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C=O)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C=O)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19ClN2O4S/c1-13-23-21(29-11-14-3-5-16(26-2)6-4-14)18(10-25)24(13)9-15-7-19-20(8-17(15)22)28-12-27-19/h3-8,10H,9,11-12H2,1-2H3