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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-methyl-imidazole-4-carbaldehyde Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-methyl-imidazole-4-carbaldehyde CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-methyl-4-imidazolecarboxaldehyde IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-methylimidazole-4-carbaldehyde Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-methyl-imidazole-4-carbaldehyde Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C=O)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C=O)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H17ClN2O4S/c1-12-22-20(28-15-5-3-14(25-2)4-6-15)17(10-24)23(12)9-13-7-18-19(8-16(13)21)27-11-26-18/h3-8,10H,9,11H2,1-2H3