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

Systemtic Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[1-(2-thiophen-2-ylethylamino)ethylidene]pyrazol-3-one Openeye Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[1-[2-(2-thienyl)ethylamino]ethylidene]pyrazol-3-one CAS Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[1-(2-thiophen-2-ylethylamino)ethylidene]-3-pyrazolone IUPAC Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[1-(2-thiophen-2-ylethylamino)ethylidene]pyrazol-3-one Traditional Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[1-[2-(2-thienyl)ethylamino]ethylidene]-2-pyrazolin-3-one Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCCC2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(/C)\NCCC2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-12(19-10-9-16-4-3-11-26-16)17-13(2)20-21(18(17)23)14-5-7-15(8-6-14)22(24)25/h3-8,11,19H,9-10H2,1-2H3/b17-12-