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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carbaldehyde Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carbaldehyde CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylthio]-4-imidazolecarboxaldehyde IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carbaldehyde Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(p-anisylthio)imidazole-4-carbaldehyde Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(N(C=N2)CC3=CC4=C(C=C3Cl)OCO4)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(N(C=N2)CC3=CC4=C(C=C3Cl)OCO4)C=O

InChI

InChI=1S/C20H17ClN2O4S/c1-25-15-4-2-13(3-5-15)10-28-20-17(9-24)23(11-22-20)8-14-6-18-19(7-16(14)21)27-12-26-18/h2-7,9,11H,8,10,12H2,1H3