2-(4-bromanylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[2-(phenylthio)phenyl]propionamide Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N3C=C(C=N3)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N3C=C(C=N3)Br

InChI

InChI=1S/C18H16BrN3OS/c1-13(22-12-14(19)11-20-22)18(23)21-16-9-5-6-10-17(16)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,23)