N-[3,5-dicyano-4-(4-methoxyphenyl)-2-oxidanylidene-6-sulfanyl-pyridin-1-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3,5-dicyano-4-(4-methoxyphenyl)-2-oxidanylidene-6-sulfanyl-pyridin-1-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3,5-dicyano-4-(4-methoxyphenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide CAS Name: N-[3,5-dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1-pyridinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3,5-dicyano-4-(4-methoxyphenyl)-2-oxo-6-sulfanylpyridin-1-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3,5-dicyano-2-keto-6-mercapto-4-(4-methoxyphenyl)-1-pyridyl]-4-methyl-benzenesulfonamide Formula: C21H16N4O4S2 MolecularWeight: 452.50614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)S

InChI

InChI=1S/C21H16N4O4S2/c1-13-3-9-16(10-4-13)31(27,28)24-25-20(26)17(11-22)19(18(12-23)21(25)30)14-5-7-15(29-2)8-6-14/h3-10,24,30H,1-2H3