(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-octoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-octoxyphenyl)prop-2-enamide Openeye Name: (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-octoxyphenyl)prop-2-enamide CAS Name: (E)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-octoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-octoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-octoxyphenyl)acrylamide Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=CC(=O)NC2=NN=C(S2)SCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)SCC

InChI

InChI=1S/C21H29N3O2S2/c1-3-5-6-7-8-9-16-26-18-13-10-17(11-14-18)12-15-19(25)22-20-23-24-21(28-20)27-4-2/h10-15H,3-9,16H2,1-2H3,(H,22,23,25)/b15-12+