4-[(4-chlorophenyl)methylsulfanyl]-3,5-dimethyl-1H-pyrazole

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-3,5-dimethyl-1H-pyrazole Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-3,5-dimethyl-1H-pyrazole CAS Name: 4-[(4-chlorophenyl)methylthio]-3,5-dimethyl-1H-pyrazole IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-3,5-dimethyl-1H-pyrazole Traditional Name: 4-[(4-chlorobenzyl)thio]-3,5-dimethyl-1H-pyrazole Formula: C12H13ClN2S MolecularWeight: 252.76302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=NN1)C)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2S/c1-8-12(9(2)15-14-8)16-7-10-3-5-11(13)6-4-10/h3-6H,7H2,1-2H3,(H,14,15)