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

Systemtic Name: N-(furan-2-ylmethyl)-2-methyl-5-[3-(methylsulfanylmethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]benzenesulfonamide Openeye Name: N-(2-furylmethyl)-2-methyl-5-[3-(methylsulfanylmethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-2-methyl-5-[3-[(methylthio)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-2-methyl-5-[3-(methylsulfanylmethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-2-methyl-5-[3-[(methylthio)methyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]benzenesulfonamide Formula: C23H21N5O3S2 MolecularWeight: 479.57454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)CSC)S(=O)(=O)NCC5=CC=CO5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)CSC)S(=O)(=O)NCC5=CC=CO5

InChI

InChI=1S/C23H21N5O3S2/c1-15-9-10-16(12-20(15)33(29,30)24-13-17-6-5-11-31-17)22-18-7-3-4-8-19(18)23-26-25-21(14-32-2)28(23)27-22/h3-12,24H,13-14H2,1-2H3