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

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine bromide Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-3-(3-pyridylmethyl)-2,4-dihydro-1H-1,3,5-triazine bromide CAS Name: 6-[(4-bromophenyl)methylthio]-3-(3-pyridinylmethyl)-2,4-dihydro-1H-1,3,5-triazine bromide IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine bromide Traditional Name: 6-[(4-bromobenzyl)thio]-3-(3-pyridylmethyl)-2,4-dihydro-1H-s-triazine bromide Formula: C16H17Br2N4S- MolecularWeight: 457.20598

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=NCN1CC2=CN=CC=C2)SCC3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

C1NC(=NCN1CC2=CN=CC=C2)SCC3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C16H17BrN4S.BrH/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);1H/p-1