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

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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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)SCCC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S2/c1-3-5-10-25-16-8-6-14(7-9-16)12-15(13-20)17(24)21-18-22-23-19(27-18)26-11-4-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,22,24)/b15-12+