ethyl 4-(4-chlorophenyl)sulfanyl-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)sulfanyl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)sulfanyl-1H-pyrazole-5-carboxylate CAS Name: 4-[(4-chlorophenyl)thio]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)sulfanyl-1H-pyrazole-5-carboxylate Traditional Name: 4-[(4-chlorophenyl)thio]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C12H11ClN2O2S MolecularWeight: 282.74594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN2O2S/c1-2-17-12(16)11-10(7-14-15-11)18-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15)