5-(4-ethylsulfanylphthalazin-1-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 5-(4-ethylsulfanylphthalazin-1-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 5-(4-ethylsulfanylphthalazin-1-yl)-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 5-[4-(ethylthio)-1-phthalazinyl]-2-methyl-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 5-(4-ethylsulfanylphthalazin-1-yl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-(ethylthio)phthalazin-1-yl]-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)C)S(=O)(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCSC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)C)S(=O)(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H22N4O2S2/c1-3-30-23-20-9-5-4-8-19(20)22(26-27-23)18-11-10-16(2)21(13-18)31(28,29)25-15-17-7-6-12-24-14-17/h4-14,25H,3,15H2,1-2H3