N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)ethanamide

Systemtic Name: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)ethanamide Openeye Name: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide CAS Name: N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide IUPAC Name: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide Traditional Name: N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O3S2/c1-13-9-14(2)19(15(3)10-13)27-11-18(26)22-20-23-24-21(29-20)28-12-17(25)16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,22,23,26)