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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] propanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] propanoate CAS Name: propanoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] propanoate Traditional Name: propionic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C19H17N3O4S MolecularWeight: 383.42098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c1-3-17(23)26-19-18(27-16-12-8-7-11-15(16)22(24)25)13(2)20-21(19)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3