6-[(4-bromophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-3-(3-pyridylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium CAS Name: 6-[(4-bromophenyl)methylthio]-3-(3-pyridinylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium Traditional Name: 6-[(4-bromobenzyl)thio]-3-(3-pyridylmethyl)-2,4-dihydro-1H-s-triazin-5-ium Formula: C16H18BrN4S+ MolecularWeight: 378.30992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4S/c17-15-5-3-13(4-6-15)10-22-16-19-11-21(12-20-16)9-14-2-1-7-18-8-14/h1-8H,9-12H2,(H,19,20)/p+1