(E)-2-cyano-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)acrylamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NN=C(S2)C3CC3)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=NN=C(S2)C3CC3)OC

InChI

InChI=1S/C22H26N4O3S/c1-3-4-5-6-11-29-18-10-7-15(13-19(18)28-2)12-17(14-23)20(27)24-22-26-25-21(30-22)16-8-9-16/h7,10,12-13,16H,3-6,8-9,11H2,1-2H3,(H,24,26,27)/b17-12+