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

Systemtic Name: N-[5,5-bis(oxidanylidene)-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-nitro-benzamide CAS Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide IUPAC Name: N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide Traditional Name: N-(5,5-diketo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-nitro-benzamide Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N(N=C2CS1(=O)=O)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=C(N(N=C2CS1(=O)=O)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c23-18(12-5-4-8-14(9-12)22(24)25)19-17-15-10-28(26,27)11-16(15)20-21(17)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,19,23)