N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3,5-dimethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C22H22N4OS MolecularWeight: 390.50128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H22N4OS/c1-16-21(17(2)26(25-16)20-10-4-3-5-11-20)22(27)24-12-13-28-15-19-9-7-6-8-18(19)14-23/h3-11H,12-13,15H2,1-2H3,(H,24,27)