(E)-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide

Systemtic Name: (E)-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide Openeye Name: (E)-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide CAS Name: (E)-N-[5-[2-(phenylthio)ethylamino]-1,3,4-thiadiazol-2-yl]-9-octadecenamide IUPAC Name: (E)-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide Traditional Name: (E)-N-[5-[2-(phenylthio)ethylamino]-1,3,4-thiadiazol-2-yl]octadec-9-enamide Formula: C28H44N4OS2 MolecularWeight: 516.80516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=NN=C(S1)NCCSC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=NN=C(S1)NCCSC2=CC=CC=C2

InChI

InChI=1S/C28H44N4OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(33)30-28-32-31-27(35-28)29-23-24-34-25-20-17-16-18-21-25/h9-10,16-18,20-21H,2-8,11-15,19,22-24H2,1H3,(H,29,31)(H,30,32,33)/b10-9+