4,6-bis(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-octadecyl-1,3,5-triazin-2-amine

Systemtic Name: 4,6-bis(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-octadecyl-1,3,5-triazin-2-amine Openeye Name: 4,6-bis(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-octadecyl-1,3,5-triazin-2-amine CAS Name: 4,6-bis(1,3-benzothiazol-2-ylthio)-N-methyl-N-octadecyl-1,3,5-triazin-2-amine IUPAC Name: 4,6-bis(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-octadecyl-1,3,5-triazin-2-amine Traditional Name: [4,6-bis(1,3-benzothiazol-2-ylthio)-s-triazin-2-yl]-methyl-stearyl-amine Formula: C36H48N6S4 MolecularWeight: 693.06652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=NC(=NC(=N1)SC2=NC3=CC=CC=C3S2)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=NC(=NC(=N1)SC2=NC3=CC=CC=C3S2)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C36H48N6S4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-42(2)32-39-33(45-35-37-28-23-18-20-25-30(28)43-35)41-34(40-32)46-36-38-29-24-19-21-26-31(29)44-36/h18-21,23-26H,3-17,22,27H2,1-2H3