1,3-benzodioxol-5-yl-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]methanone Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5/c1-3-26-10-11-27-21-22-19(16-7-5-4-6-14(16)2)24(23-21)20(25)15-8-9-17-18(12-15)29-13-28-17/h4-9,12H,3,10-11,13H2,1-2H3