(4E)-5-methyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)pyrazol-3-one Openeye Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-(2-thienylmethylene)pyrazol-3-one CAS Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)pyrazol-3-one Traditional Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-(2-thenylidene)-2-pyrazolin-3-one Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3S/c1-10-14(9-13-3-2-8-22-13)15(19)17(16-10)11-4-6-12(7-5-11)18(20)21/h2-9H,1H3/b14-9+