(4S)-5-methyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethyliminomethyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethyliminomethyl)-4H-pyrazol-3-one Openeye Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-(2-thienylmethyliminomethyl)-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethyliminomethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethyliminomethyl)-4H-pyrazol-3-one Traditional Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-(2-thenyliminomethyl)-2-pyrazolin-3-one Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCC2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C=NCC2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c1-11-15(10-17-9-14-3-2-8-24-14)16(21)19(18-11)12-4-6-13(7-5-12)20(22)23/h2-8,10,15H,9H2,1H3/t15-/m0/s1