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

Systemtic Name: (E)-2-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-hexoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-hexoxy-3-methoxy-phenyl)acrylamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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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)SCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S2/c1-4-6-7-8-11-28-17-10-9-15(13-18(17)27-3)12-16(14-22)19(26)23-20-24-25-21(30-20)29-5-2/h9-10,12-13H,4-8,11H2,1-3H3,(H,23,24,26)/b16-12+