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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-propylsulfanyl-imidazole-4-carboxylate Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-propylsulfanyl-imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-(propylthio)-4-imidazolecarboxylate IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-propylsulfanylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-(propylthio)imidazole-4-carboxylate Formula: C22H20ClN2O5S2- MolecularWeight: 491.9876

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)[O-])SC4=CC=C(C=C4)OC

Isomeric SMILES

CCCSC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)[O-])SC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21ClN2O5S2/c1-3-8-31-22-24-20(32-15-6-4-14(28-2)5-7-15)19(21(26)27)25(22)11-13-9-17-18(10-16(13)23)30-12-29-17/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,26,27)/p-1