S-(4-chlorophenyl) 1-phenyl-5-propyl-pyrazole-4-carbothioate

Systemtic Name: S-(4-chlorophenyl) 1-phenyl-5-propyl-pyrazole-4-carbothioate Openeye Name: S-(4-chlorophenyl) 1-phenyl-5-propyl-pyrazole-4-carbothioate CAS Name: 1-phenyl-5-propyl-4-pyrazolecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 1-phenyl-5-propylpyrazole-4-carbothioate Traditional Name: 1-phenyl-5-propyl-pyrazole-4-carbothioic acid S-(4-chlorophenyl) ester Formula: C19H17ClN2OS MolecularWeight: 356.86908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN2OS/c1-2-6-18-17(13-21-22(18)15-7-4-3-5-8-15)19(23)24-16-11-9-14(20)10-12-16/h3-5,7-13H,2,6H2,1H3