N-butyl-2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide

Systemtic Name: N-butyl-2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide Openeye Name: N-butyl-2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide CAS Name: N-butyl-2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide IUPAC Name: N-butyl-2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide Traditional Name: N-butyl-2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=C(C=CC(=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=C(C=CC(=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C)C

InChI

InChI=1S/C21H23N5O2S/c1-4-5-12-22-29(27,28)19-13-16(11-10-14(19)2)20-17-8-6-7-9-18(17)21-24-23-15(3)26(21)25-20/h6-11,13,22H,4-5,12H2,1-3H3