N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-phenylsulfanylacetamide Traditional Name: N-[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]-2-(phenylthio)acetamide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)CSC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)CSC3=CC=CC=C3)Br

InChI

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