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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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