N-[5-(2-buta-1,3-diynyldecylsulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide

Systemtic Name: N-[5-(2-buta-1,3-diynyldecylsulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide Openeye Name: N-[5-(2-buta-1,3-diynyldecylsulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide CAS Name: N-[5-(2-buta-1,3-diynyldecylthio)-1,3,4-thiadiazol-2-yl]hexanamide IUPAC Name: N-[5-(2-buta-1,3-diynyldecylsulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide Traditional Name: N-[5-(2-octylhexa-3,5-diynylthio)-1,3,4-thiadiazol-2-yl]hexanamide Formula: C22H33N3OS2 MolecularWeight: 419.64692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CSC1=NN=C(S1)NC(=O)CCCCC)C#CC#C

Isomeric SMILES

CCCCCCCCC(CSC1=NN=C(S1)NC(=O)CCCCC)C#CC#C

InChI

InChI=1S/C22H33N3OS2/c1-4-7-10-11-12-14-16-19(15-9-6-3)18-27-22-25-24-21(28-22)23-20(26)17-13-8-5-2/h3,19H,4-5,7-8,10-14,16-18H2,1-2H3,(H,23,24,26)