5-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)sulfonyl-3-(2-methoxyethoxy)-1,2,4-triazole

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)sulfonyl-3-(2-methoxyethoxy)-1,2,4-triazole Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)sulfonyl-3-(2-methoxyethoxy)-1,2,4-triazole CAS Name: 5-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)sulfonyl-3-(2-methoxyethoxy)-1,2,4-triazole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)sulfonyl-3-(2-methoxyethoxy)-1,2,4-triazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-brosyl-3-(2-methoxyethoxy)-1,2,4-triazole Formula: C18H16BrN3O6S MolecularWeight: 482.30514

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COCCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H16BrN3O6S/c1-25-8-9-26-18-20-17(12-2-7-15-16(10-12)28-11-27-15)22(21-18)29(23,24)14-5-3-13(19)4-6-14/h2-7,10H,8-9,11H2,1H3