N-(2-bromophenyl)-3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-bromophenyl)-3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-bromophenyl)-3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(2-bromophenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(2-bromophenyl)-3-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(2-bromophenyl)-3-[(3-cyano-6-phenyl-2-pyridyl)thio]propionamide Formula: C21H16BrN3OS MolecularWeight: 438.34024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H16BrN3OS/c22-17-8-4-5-9-19(17)24-20(26)12-13-27-21-16(14-23)10-11-18(25-21)15-6-2-1-3-7-15/h1-11H,12-13H2,(H,24,26)