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

Systemtic Name: N-[2-(2,4-dimethylphenyl)-5-oxidanylidene-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(2,4-dimethylphenyl)-5-keto-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-12-7-8-18(13(2)9-12)24-20(16-10-30(29)11-17(16)23-24)22-21(26)15-5-4-6-19(14(15)3)25(27)28/h4-9H,10-11H2,1-3H3,(H,22,26)