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

Systemtic Name: N-butyl-2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Openeye Name: N-butyl-2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide CAS Name: N-butyl-2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide IUPAC Name: N-butyl-2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide Traditional Name: N-butyl-2-methyl-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-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=NN=C3N2N=C(C4=CC=CC=C43)C)C

Isomeric SMILES

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

InChI

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