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

Systemtic Name: N-[2-[(E)-1-cyano-2-(3-phenoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]propanamide Openeye Name: N-[2-[(E)-1-cyano-2-(3-phenoxyphenyl)vinyl]-4-phenyl-thiazol-5-yl]propanamide CAS Name: N-[2-[(E)-1-cyano-2-(3-phenoxyphenyl)ethenyl]-4-phenyl-5-thiazolyl]propanamide IUPAC Name: N-[2-[(E)-1-cyano-2-(3-phenoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]propanamide Traditional Name: N-[2-[(E)-1-cyano-2-(3-phenoxyphenyl)vinyl]-4-phenyl-thiazol-5-yl]propionamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N=C(S1)C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=C(N=C(S1)/C(=C/C2=CC(=CC=C2)OC3=CC=CC=C3)/C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H21N3O2S/c1-2-24(31)29-27-25(20-11-5-3-6-12-20)30-26(33-27)21(18-28)16-19-10-9-15-23(17-19)32-22-13-7-4-8-14-22/h3-17H,2H2,1H3,(H,29,31)/b21-16+