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

Systemtic Name: N-[5,5-bis(oxidanylidene)-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitro-benzamide CAS Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide IUPAC Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-(5,5-diketo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitro-benzamide Formula: C19H16N4O5S MolecularWeight: 412.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=CC=C4

InChI

InChI=1S/C19H16N4O5S/c1-12-14(8-5-9-17(12)23(25)26)19(24)20-18-15-10-29(27,28)11-16(15)21-22(18)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,20,24)