2-cyano-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-hexoxyphenyl)prop-2-enamide

Systemtic Name: 2-cyano-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-hexoxyphenyl)prop-2-enamide Openeye Name: 2-cyano-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-3-(4-hexoxyphenyl)prop-2-enamide CAS Name: 2-cyano-N-[5-[(4-fluorophenyl)methyl]-2-thiazolyl]-3-(4-hexoxyphenyl)-2-propenamide IUPAC Name: 2-cyano-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-hexoxyphenyl)prop-2-enamide Traditional Name: 2-cyano-N-[5-(4-fluorobenzyl)thiazol-2-yl]-3-(4-hexoxyphenyl)acrylamide Formula: C26H26FN3O2S MolecularWeight: 463.566943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C26H26FN3O2S/c1-2-3-4-5-14-32-23-12-8-19(9-13-23)15-21(17-28)25(31)30-26-29-18-24(33-26)16-20-6-10-22(27)11-7-20/h6-13,15,18H,2-5,14,16H2,1H3,(H,29,30,31)