cyclododecyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxidanylidene-2,4-dihydro-1,2,4-triazin-3-yl]azanium

Systemtic Name: cyclododecyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxidanylidene-2,4-dihydro-1,2,4-triazin-3-yl]azanium Openeye Name: cyclododecyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]ammonium CAS Name: cyclododecyl-[(3S)-6-methyl-3-(methylthio)-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]ammonium IUPAC Name: cyclododecyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]azanium Traditional Name: cyclododecyl-[(3S)-5-keto-6-methyl-3-(methylthio)-2,4-dihydro-1,2,4-triazin-3-yl]ammonium Formula: C17H33N4OS+ MolecularWeight: 341.53512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(NC1=O)([NH2+]C2CCCCCCCCCCC2)SC

Isomeric SMILES

CC1=NN[C@](NC1=O)([NH2+]C2CCCCCCCCCCC2)SC

InChI

InChI=1S/C17H32N4OS/c1-14-16(22)19-17(23-2,21-20-14)18-15-12-10-8-6-4-3-5-7-9-11-13-15/h15,18,21H,3-13H2,1-2H3,(H,19,22)/p+1/t17-/m1/s1