[5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-bromophenyl)methanone

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-bromophenyl)methanone Openeye Name: [5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-bromophenyl)methanone CAS Name: [5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-bromophenyl)methanone IUPAC Name: [5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-bromophenyl)methanone Traditional Name: [5-(1,3-benzodioxol-5-yl)-3-propoxy-1,2,4-triazol-1-yl]-(4-bromophenyl)methanone Formula: C19H16BrN3O4 MolecularWeight: 430.25204

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H16BrN3O4/c1-2-9-25-19-21-17(13-5-8-15-16(10-13)27-11-26-15)23(22-19)18(24)12-3-6-14(20)7-4-12/h3-8,10H,2,9,11H2,1H3