[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] butanoate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] butanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] butanoate CAS Name: butanoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] butanoate Traditional Name: butyric acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-3-9-18(24)27-20-19(28-17-13-8-7-12-16(17)23(25)26)14(2)21-22(20)15-10-5-4-6-11-15/h4-8,10-13H,3,9H2,1-2H3