5-(1,3-benzodioxol-5-yl)-3-ethoxy-1-(4-methoxyphenyl)sulfonyl-1,2,4-triazole

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-ethoxy-1-(4-methoxyphenyl)sulfonyl-1,2,4-triazole Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-ethoxy-1-(4-methoxyphenyl)sulfonyl-1,2,4-triazole CAS Name: 5-(1,3-benzodioxol-5-yl)-3-ethoxy-1-(4-methoxyphenyl)sulfonyl-1,2,4-triazole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-ethoxy-1-(4-methoxyphenyl)sulfonyl-1,2,4-triazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-ethoxy-1-(4-methoxyphenyl)sulfonyl-1,2,4-triazole Formula: C18H17N3O6S MolecularWeight: 403.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C18H17N3O6S/c1-3-25-18-19-17(12-4-9-15-16(10-12)27-11-26-15)21(20-18)28(22,23)14-7-5-13(24-2)6-8-14/h4-10H,3,11H2,1-2H3