(4Z)-2-(4-nitrophenyl)-5-phenyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]pyrazol-3-one

Systemtic Name: (4Z)-2-(4-nitrophenyl)-5-phenyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]pyrazol-3-one Openeye Name: (4Z)-2-(4-nitrophenyl)-5-phenyl-4-[1-(2-thienylmethylamino)ethylidene]pyrazol-3-one CAS Name: (4Z)-2-(4-nitrophenyl)-5-phenyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]-3-pyrazolone IUPAC Name: (4Z)-2-(4-nitrophenyl)-5-phenyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]pyrazol-3-one Traditional Name: (4Z)-2-(4-nitrophenyl)-5-phenyl-4-[1-(2-thenylamino)ethylidene]-2-pyrazolin-3-one Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)NCC4=CC=CS4

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)/NCC4=CC=CS4

InChI

InChI=1S/C22H18N4O3S/c1-15(23-14-19-8-5-13-30-19)20-21(16-6-3-2-4-7-16)24-25(22(20)27)17-9-11-18(12-10-17)26(28)29/h2-13,23H,14H2,1H3/b20-15-