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

Systemtic Name: 2-[(4-methylphenyl)amino]-1-[3-(5-nitrothiophen-2-yl)-5-phenyl-pyrazol-1-yl]ethanone Openeye Name: 2-(4-methylanilino)-1-[3-(5-nitro-2-thienyl)-5-phenyl-pyrazol-1-yl]ethanone CAS Name: 2-(4-methylanilino)-1-[3-(5-nitro-2-thiophenyl)-5-phenyl-1-pyrazolyl]ethanone IUPAC Name: 2-(4-methylanilino)-1-[3-(5-nitrothiophen-2-yl)-5-phenylpyrazol-1-yl]ethanone Traditional Name: 1-[3-(5-nitro-2-thienyl)-5-phenyl-pyrazol-1-yl]-2-(p-toluidino)ethanone Formula: C22H18N4O3S MolecularWeight: 418.46832

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3S/c1-15-7-9-17(10-8-15)23-14-21(27)25-19(16-5-3-2-4-6-16)13-18(24-25)20-11-12-22(30-20)26(28)29/h2-13,23H,14H2,1H3