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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) naphthalene-2-carboxylate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C27H20N2O2S MolecularWeight: 436.5249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C27H20N2O2S/c1-19-25(32-24-14-6-3-7-15-24)26(29(28-19)23-12-4-2-5-13-23)31-27(30)22-17-16-20-10-8-9-11-21(20)18-22/h2-18H,1H3