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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-propan-2-yloxybenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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)OC(C)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O3S/c1-18(2)30-22-16-14-20(15-17-22)26(29)31-25-24(32-23-12-8-5-9-13-23)19(3)27-28(25)21-10-6-4-7-11-21/h4-18H,1-3H3