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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] pentanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] pentanoate CAS Name: pentanoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] pentanoate Traditional Name: valeric acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-3-4-14-19(25)28-21-20(29-18-13-9-8-12-17(18)24(26)27)15(2)22-23(21)16-10-6-5-7-11-16/h5-13H,3-4,14H2,1-2H3