5-[4-(1,3-benzothiazol-2-ylsulfanyl)phthalazin-1-yl]-N,N,2-trimethyl-benzenesulfonamide

Systemtic Name: 5-[4-(1,3-benzothiazol-2-ylsulfanyl)phthalazin-1-yl]-N,N,2-trimethyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzothiazol-2-ylsulfanyl)phthalazin-1-yl]-N,N,2-trimethyl-benzenesulfonamide CAS Name: 5-[4-(1,3-benzothiazol-2-ylthio)-1-phthalazinyl]-N,N,2-trimethylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzothiazol-2-ylsulfanyl)phthalazin-1-yl]-N,N,2-trimethylbenzenesulfonamide Traditional Name: 5-[4-(1,3-benzothiazol-2-ylthio)phthalazin-1-yl]-N,N,2-trimethyl-benzenesulfonamide Formula: C24H20N4O2S3 MolecularWeight: 492.6362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5S4)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5S4)S(=O)(=O)N(C)C

InChI

InChI=1S/C24H20N4O2S3/c1-15-12-13-16(14-21(15)33(29,30)28(2)3)22-17-8-4-5-9-18(17)23(27-26-22)32-24-25-19-10-6-7-11-20(19)31-24/h4-14H,1-3H3