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

Systemtic Name: 2-methyl-N-(oxolan-2-ylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide Openeye Name: 2-methyl-N-(tetrahydrofuran-2-ylmethyl)-5-(4-thioxo-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: 2-methyl-N-(2-oxolanylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide IUPAC Name: 2-methyl-N-(oxolan-2-ylmethyl)-5-(4-sulfanylidene-3H-phthalazin-1-yl)benzenesulfonamide Traditional Name: 2-methyl-N-(tetrahydrofurfuryl)-5-(4-thioxo-3H-phthalazin-1-yl)benzenesulfonamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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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)NCC4CCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=S)C3=CC=CC=C32)S(=O)(=O)NCC4CCCO4

InChI

InChI=1S/C20H21N3O3S2/c1-13-8-9-14(19-16-6-2-3-7-17(16)20(27)23-22-19)11-18(13)28(24,25)21-12-15-5-4-10-26-15/h2-3,6-9,11,15,21H,4-5,10,12H2,1H3,(H,23,27)