1,3-benzodioxol-5-yl-[3-butoxy-5-(2,4-dichlorophenyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(2,4-dichlorophenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(2,4-dichlorophenyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(2,4-dichlorophenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(2,4-dichlorophenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[3-butoxy-5-(2,4-dichlorophenyl)-1,2,4-triazol-1-yl]methanone Formula: C20H17Cl2N3O4 MolecularWeight: 434.27268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17Cl2N3O4/c1-2-3-8-27-20-23-18(14-6-5-13(21)10-15(14)22)25(24-20)19(26)12-4-7-16-17(9-12)29-11-28-16/h4-7,9-10H,2-3,8,11H2,1H3