3-[(3-methyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfanylmethyl]benzenecarbonitrile bromide

Systemtic Name: 3-[(3-methyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfanylmethyl]benzenecarbonitrile bromide Openeye Name: 3-[(3-methyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfanylmethyl]benzonitrile bromide CAS Name: 3-[[(3-methyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)thio]methyl]benzonitrile bromide IUPAC Name: 3-[(3-methyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfanylmethyl]benzonitrile bromide Traditional Name: 3-[[(3-methyl-2,4-dihydro-1H-s-triazin-6-yl)thio]methyl]benzonitrile bromide Formula: C12H14BrN4S- MolecularWeight: 326.23536

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Descriptors Computed from Structure

Canonical SMILES:

CN1CNC(=NC1)SCC2=CC=CC(=C2)C#N.[Br-]

Isomeric SMILES

CN1CNC(=NC1)SCC2=CC=CC(=C2)C#N.[Br-]

InChI

InChI=1S/C12H14N4S.BrH/c1-16-8-14-12(15-9-16)17-7-11-4-2-3-10(5-11)6-13;/h2-5H,7-9H2,1H3,(H,14,15);1H/p-1