2-(4-hexadecylsulfonylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-(4-hexadecylsulfonylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-(4-hexadecylsulfonylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole CAS Name: 2-(4-hexadecylsulfonylphenyl)-5-(methylthio)-1,3,4-thiadiazole IUPAC Name: 2-(4-hexadecylsulfonylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-(4-cetylsulfonylphenyl)-5-(methylthio)-1,3,4-thiadiazole Formula: C25H40N2O2S3 MolecularWeight: 496.7923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(S2)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(S2)SC

InChI

InChI=1S/C25H40N2O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(28,29)23-19-17-22(18-20-23)24-26-27-25(30-2)31-24/h17-20H,3-16,21H2,1-2H3