N-butyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide

Systemtic Name: N-butyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Openeye Name: N-butyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide CAS Name: N-butyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide IUPAC Name: N-butyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Traditional Name: N-butyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=CC(=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=CC(=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C

InChI

InChI=1S/C20H21N5O2S/c1-3-4-12-21-28(26,27)16-9-7-8-15(13-16)19-22-23-20-18-11-6-5-10-17(18)14(2)24-25(19)20/h5-11,13,21H,3-4,12H2,1-2H3