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

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C22H18ClN3O2S2/c1-14-11-17(9-10-19(14)23)28-12-20(27)24-21-25-26-22(30-21)29-13-16-7-4-6-15-5-2-3-8-18(15)16/h2-11H,12-13H2,1H3,(H,24,25,27)