N-[2-(2,3-dimethylphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(2,3-dimethylphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(2,3-dimethylphenyl)-5,5-diketo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H20N4O5S/c1-12-6-4-8-18(13(12)2)24-20(16-10-31(29,30)11-17(16)23-24)22-21(26)15-7-5-9-19(14(15)3)25(27)28/h4-9H,10-11H2,1-3H3,(H,22,26)