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

Systemtic Name: (E)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acrylamide Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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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)SCCCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3S2/c1-4-6-8-9-12-30-19-11-10-17(15-20(19)29-3)14-18(16-24)21(28)25-22-26-27-23(32-22)31-13-7-5-2/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,25,26,28)/b18-14+