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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) pentanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) pentanoate CAS Name: pentanoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) pentanoate Traditional Name: valeric acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-3-4-15-19(24)25-21-20(26-18-13-9-6-10-14-18)16(2)22-23(21)17-11-7-5-8-12-17/h5-14H,3-4,15H2,1-2H3