N-(2-bromanyl-4-methyl-phenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C19H18BrN3OS MolecularWeight: 416.33472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3OS/c1-14-3-8-18(17(20)11-14)22-19(24)13-25-12-15-4-6-16(7-5-15)23-10-2-9-21-23/h2-11H,12-13H2,1H3,(H,22,24)