2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O3S2/c1-12-8-15(9-13(2)18(12)21)27-10-17(26)22-19-23-24-20(29-19)28-11-16(25)14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,22,23,26)