(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-methyl-3-nitro-benzoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-methyl-3-nitro-benzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C24H19N3O4S/c1-16-20(14-9-15-21(16)27(29)30)24(28)31-23-22(32-19-12-7-4-8-13-19)17(2)25-26(23)18-10-5-3-6-11-18/h3-15H,1-2H3