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

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(thiophen-2-ylmethylamino)ethylidene]pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(2-thienylmethylamino)ethylidene]pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(thiophen-2-ylmethylamino)ethylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(thiophen-2-ylmethylamino)ethylidene]pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[1-(2-thenylamino)ethylidene]-2-pyrazolin-3-one Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCC2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-11(18-10-15-4-3-9-25-15)16-12(2)19-20(17(16)22)13-5-7-14(8-6-13)21(23)24/h3-9,18H,10H2,1-2H3