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

Systemtic Name: 4-ethyl-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one Openeye Name: 4-ethyl-5-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]-1H-pyrazol-3-one CAS Name: 4-ethyl-5-methyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one IUPAC Name: 4-ethyl-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one Traditional Name: 4-ethyl-5-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-pyrazolin-3-one Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN(C1=O)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(NN(C1=O)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H14N4O3S/c1-3-12-9(2)17-18(14(12)20)15-16-13(8-23-15)10-5-4-6-11(7-10)19(21)22/h4-8,17H,3H2,1-2H3