3,5,5-trimethyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide

Systemtic Name: 3,5,5-trimethyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3,5,5-trimethyl-hexanamide CAS Name: 3,5,5-trimethyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]hexanamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3,5,5-trimethyl-hexanamide Formula: C18H25N3OS2 MolecularWeight: 363.5406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2)CC(C)(C)C

InChI

InChI=1S/C18H25N3OS2/c1-13(11-18(2,3)4)10-15(22)19-16-20-21-17(24-16)23-12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,19,20,22)