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

Systemtic Name: (4Z)-2-(4-methoxyphenyl)-5-phenyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]pyrazol-3-one Openeye Name: (4Z)-2-(4-methoxyphenyl)-5-phenyl-4-[1-(2-thienylmethylamino)ethylidene]pyrazol-3-one CAS Name: (4Z)-2-(4-methoxyphenyl)-5-phenyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]-3-pyrazolone IUPAC Name: (4Z)-2-(4-methoxyphenyl)-5-phenyl-4-[1-(thiophen-2-ylmethylamino)ethylidene]pyrazol-3-one Traditional Name: (4Z)-2-(4-methoxyphenyl)-5-phenyl-4-[1-(2-thenylamino)ethylidene]-2-pyrazolin-3-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3)NCC4=CC=CS4

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3)/NCC4=CC=CS4

InChI

InChI=1S/C23H21N3O2S/c1-16(24-15-20-9-6-14-29-20)21-22(17-7-4-3-5-8-17)25-26(23(21)27)18-10-12-19(28-2)13-11-18/h3-14,24H,15H2,1-2H3/b21-16-