(E)-3-(3,4-dimethoxyphenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H19N3O4S2/c1-27-17-10-8-14(12-18(17)28-2)9-11-19(26)22-20-23-24-21(30-20)29-13-16(25)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,23,26)/b11-9+