(E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(3-benzyloxyphenyl)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(3-benzoxyphenyl)-2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)/C(=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H18N4O2S/c1-2-19-24-25-21(28-19)23-20(26)17(13-22)11-16-9-6-10-18(12-16)27-14-15-7-4-3-5-8-15/h3-12H,2,14H2,1H3,(H,23,25,26)/b17-11+