N-(1,3-benzodioxol-5-yl)-2-[5-(4-chlorophenyl)-1-prop-2-enyl-imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[5-(4-chlorophenyl)-1-prop-2-enyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-allyl-5-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(4-chlorophenyl)-1-prop-2-enyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-allyl-5-(4-chlorophenyl)imidazol-2-yl]thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C=CCN1C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-2-9-25-17(14-3-5-15(22)6-4-14)11-23-21(25)29-12-20(26)24-16-7-8-18-19(10-16)28-13-27-18/h2-8,10-11H,1,9,12-13H2,(H,24,26)