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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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