2-(4-chloranyl-3-methyl-phenoxy)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-chloro-3-methyl-phenoxy)acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-(4-chloro-3-methyl-phenoxy)acetamide Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S2/c1-12-9-14(7-8-15(12)19)24-10-16(23)20-17-21-22-18(26-17)25-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,21,23)