2-[(4-methylphenyl)amino]-1-[3-(5-nitrothiophen-2-yl)-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl]ethanone

Systemtic Name: 2-[(4-methylphenyl)amino]-1-[3-(5-nitrothiophen-2-yl)-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl]ethanone Openeye Name: 1-[5-hydroxy-3-(5-nitro-2-thienyl)-5-phenyl-4H-pyrazol-1-yl]-2-(4-methylanilino)ethanone CAS Name: 1-[5-hydroxy-3-(5-nitro-2-thiophenyl)-5-phenyl-4H-pyrazol-1-yl]-2-(4-methylanilino)ethanone IUPAC Name: 1-[5-hydroxy-3-(5-nitrothiophen-2-yl)-5-phenyl-4H-pyrazol-1-yl]-2-(4-methylanilino)ethanone Traditional Name: 1-[5-hydroxy-3-(5-nitro-2-thienyl)-5-phenyl-2-pyrazolin-1-yl]-2-(p-toluidino)ethanone Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(=O)N2C(CC(=N2)C3=CC=C(S3)[N+](=O)[O-])(C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC(=O)N2C(CC(=N2)C3=CC=C(S3)[N+](=O)[O-])(C4=CC=CC=C4)O

InChI

InChI=1S/C22H20N4O4S/c1-15-7-9-17(10-8-15)23-14-20(27)25-22(28,16-5-3-2-4-6-16)13-18(24-25)19-11-12-21(31-19)26(29)30/h2-12,23,28H,13-14H2,1H3