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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-chloranyl-5-nitro-benzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H16ClN3O4S MolecularWeight: 465.90884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H16ClN3O4S/c1-15-21(32-18-10-6-3-7-11-18)22(26(25-15)16-8-4-2-5-9-16)31-23(28)19-14-17(27(29)30)12-13-20(19)24/h2-14H,1H3