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

Systemtic Name: (E)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)acrylamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)OCC)OC)C#N

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2)OCC)OC)/C#N

InChI

InChI=1S/C19H22N4O3S2/c1-4-6-9-27-19-23-22-18(28-19)21-17(24)14(12-20)10-13-7-8-15(26-5-2)16(11-13)25-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22,24)/b14-10+