2-(2,6-dimethylphenoxy)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(2,6-dimethylphenoxy)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(2,6-dimethylphenoxy)-N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(2,6-dimethylphenoxy)-N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(2,6-dimethylphenoxy)-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(2,6-dimethylphenoxy)-N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S2/c1-15-7-5-8-16(2)21(15)28-13-20(27)24-22-25-26-23(30-22)29-14-18-11-6-10-17-9-3-4-12-19(17)18/h3-12H,13-14H2,1-2H3,(H,24,25,27)