2-(4-bromophenyl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[2-(pyrazol-1-ylmethyl)benzyl]acetamide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CSC2=CC=C(C=C2)Br)CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CSC2=CC=C(C=C2)Br)CN3C=CC=N3

InChI

InChI=1S/C19H18BrN3OS/c20-17-6-8-18(9-7-17)25-14-19(24)21-12-15-4-1-2-5-16(15)13-23-11-3-10-22-23/h1-11H,12-14H2,(H,21,24)