2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide

Systemtic Name: 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide Openeye Name: 2-methyl-N-(3-pyridylmethyl)-5-(4-thioxo-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: 2-methyl-N-(3-pyridinylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide IUPAC Name: 2-methyl-N-(pyridin-3-ylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide Traditional Name: 2-methyl-N-(3-pyridylmethyl)-5-(4-thioxo-3H-phthalazin-1-yl)benzenesulfonamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=S)C3=CC=CC=C32)S(=O)(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=S)C3=CC=CC=C32)S(=O)(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H18N4O2S2/c1-14-8-9-16(20-17-6-2-3-7-18(17)21(28)25-24-20)11-19(14)29(26,27)23-13-15-5-4-10-22-12-15/h2-12,23H,13H2,1H3,(H,25,28)