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

Systemtic Name: (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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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)SCCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S2/c1-4-6-7-8-11-29-18-10-9-16(14-19(18)28-3)13-17(15-23)20(27)24-21-25-26-22(31-21)30-12-5-2/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,24,25,27)/b17-13+