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

Systemtic Name: (E)-3-(4-butoxyphenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-cyano-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-cyano-acrylamide Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NN=C(S2)SCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NN=C(S2)SCCCC

InChI

InChI=1S/C20H24N4O2S2/c1-3-5-11-26-17-9-7-15(8-10-17)13-16(14-21)18(25)22-19-23-24-20(28-19)27-12-6-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,23,25)/b16-13+