5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one

Systemtic Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one Openeye Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(2-thienylmethylamino)methylene]pyrazol-3-one CAS Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(thiophen-2-ylmethylamino)methylidene]-3-pyrazolone IUPAC Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one Traditional Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(2-thenylamino)methylene]-2-pyrazolin-3-one Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-30-18-10-4-15(5-11-18)21-20(14-23-13-19-3-2-12-31-19)22(27)25(24-21)16-6-8-17(9-7-16)26(28)29/h2-12,14,23H,13H2,1H3