2-[[(E)-octadec-9-enyl]amino]-5-sulfanyl-1,2-dihydro-1,3,5-triazine-6-thione

Systemtic Name: 2-[[(E)-octadec-9-enyl]amino]-5-sulfanyl-1,2-dihydro-1,3,5-triazine-6-thione Openeye Name: 2-[[(E)-octadec-9-enyl]amino]-5-sulfanyl-1,2-dihydro-1,3,5-triazine-6-thione CAS Name: 5-mercapto-2-[[(E)-octadec-9-enyl]amino]-1,2-dihydro-1,3,5-triazine-6-thione IUPAC Name: 2-[[(E)-octadec-9-enyl]amino]-5-sulfanyl-1,2-dihydro-1,3,5-triazine-6-thione Traditional Name: 5-mercapto-2-[[(E)-octadec-9-enyl]amino]-1,2-dihydro-s-triazine-6-thione Formula: C21H40N4S2 MolecularWeight: 412.6991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC1NC(=S)N(C=N1)S

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC1NC(=S)N(C=N1)S

InChI

InChI=1S/C21H40N4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20-23-19-25(27)21(26)24-20/h9-10,19-20,22,27H,2-8,11-18H2,1H3,(H,24,26)/b10-9+