4-butyl-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxidanyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-butyl-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxidanyl-2-phenyl-pyrazol-3-one Openeye Name: 4-butyl-1-[4-(4-chlorophenyl)thiazol-2-yl]-5-hydroxy-2-phenyl-pyrazol-3-one CAS Name: 4-butyl-1-[4-(4-chlorophenyl)-2-thiazolyl]-5-hydroxy-2-phenyl-3-pyrazolone IUPAC Name: 4-butyl-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-hydroxy-2-phenylpyrazol-3-one Traditional Name: 4-butyl-1-[4-(4-chlorophenyl)thiazol-2-yl]-5-hydroxy-2-phenyl-3-pyrazolin-3-one Formula: C22H20ClN3O2S MolecularWeight: 425.9311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H20ClN3O2S/c1-2-3-9-18-20(27)25(17-7-5-4-6-8-17)26(21(18)28)22-24-19(14-29-22)15-10-12-16(23)13-11-15/h4-8,10-14,28H,2-3,9H2,1H3