3-(phenylmethyl)-6-(phenylmethylsulfanyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium

Systemtic Name: 3-(phenylmethyl)-6-(phenylmethylsulfanyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium Openeye Name: 3-benzyl-6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-5-ium CAS Name: 3-(phenylmethyl)-6-(phenylmethylthio)-2,4-dihydro-1H-1,3,5-triazin-5-ium IUPAC Name: 3-benzyl-6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-5-ium Traditional Name: 3-benzyl-6-(benzylthio)-2,4-dihydro-1H-s-triazin-5-ium Formula: C17H20N3S+ MolecularWeight: 298.4258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1NC(=[NH+]CN1CC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1NC(=[NH+]CN1CC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H19N3S/c1-3-7-15(8-4-1)11-20-13-18-17(19-14-20)21-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)/p+1