N-(3,5-dimethylphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C20H21N3OS MolecularWeight: 351.46524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)C

InChI

InChI=1S/C20H21N3OS/c1-15-10-16(2)12-18(11-15)22-20(24)14-25-13-17-4-6-19(7-5-17)23-9-3-8-21-23/h3-12H,13-14H2,1-2H3,(H,22,24)