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

Systemtic Name: N-(2-tert-butyl-5-oxidanylidene-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-methyl-3-nitro-benzamide Openeye Name: N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-methyl-3-nitro-benzamide CAS Name: N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-methyl-3-nitrobenzamide Traditional Name: N-(2-tert-butyl-5-keto-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-methyl-3-nitro-benzamide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-10-5-6-11(7-14(10)21(23)24)16(22)18-15-12-8-26(25)9-13(12)19-20(15)17(2,3)4/h5-7H,8-9H2,1-4H3,(H,18,22)