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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) benzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) benzoate CAS Name: benzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) benzoate Traditional Name: benzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H18N2O2S MolecularWeight: 386.46622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O2S/c1-17-21(28-20-15-9-4-10-16-20)22(25(24-17)19-13-7-3-8-14-19)27-23(26)18-11-5-2-6-12-18/h2-16H,1H3