5-(1,3-benzodioxol-5-yl)-3-butoxy-1-naphthalen-1-ylsulfonyl-1,2,4-triazole

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-butoxy-1-naphthalen-1-ylsulfonyl-1,2,4-triazole Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-butoxy-1-(1-naphthylsulfonyl)-1,2,4-triazole CAS Name: 5-(1,3-benzodioxol-5-yl)-3-butoxy-1-(1-naphthalenylsulfonyl)-1,2,4-triazole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-butoxy-1-naphthalen-1-ylsulfonyl-1,2,4-triazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-butoxy-1-(1-naphthylsulfonyl)-1,2,4-triazole Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H21N3O5S/c1-2-3-13-29-23-24-22(17-11-12-19-20(14-17)31-15-30-19)26(25-23)32(27,28)21-10-6-8-16-7-4-5-9-18(16)21/h4-12,14H,2-3,13,15H2,1H3