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

Systemtic Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)SCCCC)OCC

InChI

InChI=1S/C21H29N3O3S2/c1-4-7-13-27-17-11-9-16(15-18(17)26-6-3)10-12-19(25)22-20-23-24-21(29-20)28-14-8-5-2/h9-12,15H,4-8,13-14H2,1-3H3,(H,22,23,25)/b12-10+