N5-methyl-N5-octadecyl-N3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole-3,5-diamine

Systemtic Name: N5-methyl-N5-octadecyl-N3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole-3,5-diamine Openeye Name: N5-methyl-N5-octadecyl-N3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole-3,5-diamine CAS Name: N5-methyl-N5-octadecyl-N3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole-3,5-diamine IUPAC Name: 5-N-methyl-5-N-octadecyl-3-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole-3,5-diamine Traditional Name: methyl-stearyl-[3-[[4-(trifluoromethyl)benzyl]amino]-1,2,4-thiadiazol-5-yl]amine Formula: C29H47F3N4S MolecularWeight: 540.77049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=NC(=NS1)NCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=NC(=NS1)NCC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C29H47F3N4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-36(2)28-34-27(35-37-28)33-24-25-19-21-26(22-20-25)29(30,31)32/h19-22H,3-18,23-24H2,1-2H3,(H,33,35)