N-[2-[(E)-1-cyano-2-(4-iodophenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]propanamide

Systemtic Name: N-[2-[(E)-1-cyano-2-(4-iodophenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]propanamide Openeye Name: N-[2-[(E)-1-cyano-2-(4-iodophenyl)vinyl]-4-phenyl-thiazol-5-yl]propanamide CAS Name: N-[2-[(E)-1-cyano-2-(4-iodophenyl)ethenyl]-4-phenyl-5-thiazolyl]propanamide IUPAC Name: N-[2-[(E)-1-cyano-2-(4-iodophenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]propanamide Traditional Name: N-[2-[(E)-1-cyano-2-(4-iodophenyl)vinyl]-4-phenyl-thiazol-5-yl]propionamide Formula: C21H16IN3OS MolecularWeight: 485.34071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N=C(S1)C(=CC2=CC=C(C=C2)I)C#N)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=C(N=C(S1)/C(=C/C2=CC=C(C=C2)I)/C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H16IN3OS/c1-2-18(26)24-21-19(15-6-4-3-5-7-15)25-20(27-21)16(13-23)12-14-8-10-17(22)11-9-14/h3-12H,2H2,1H3,(H,24,26)/b16-12+