4,5-dimethyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one

Systemtic Name: 4,5-dimethyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one Openeye Name: 4,5-dimethyl-2-[4-(3-nitrophenyl)thiazol-2-yl]-1H-pyrazol-3-one CAS Name: 4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one IUPAC Name: 4,5-dimethyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one Traditional Name: 4,5-dimethyl-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-pyrazolin-3-one Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NN(C1=O)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C14H12N4O3S/c1-8-9(2)16-17(13(8)19)14-15-12(7-22-14)10-4-3-5-11(6-10)18(20)21/h3-7,16H,1-2H3