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

Systemtic Name: 3-[(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfanylmethyl]benzenecarbonitrile bromide Openeye Name: 3-[(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfanylmethyl]benzonitrile bromide CAS Name: 3-[[(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)thio]methyl]benzonitrile bromide IUPAC Name: 3-[(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfanylmethyl]benzonitrile bromide Traditional Name: 3-[[(3-ethyl-2,4-dihydro-1H-s-triazin-6-yl)thio]methyl]benzonitrile bromide Formula: C13H16BrN4S- MolecularWeight: 340.26194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CNC(=NC1)SCC2=CC=CC(=C2)C#N.[Br-]

Isomeric SMILES

CCN1CNC(=NC1)SCC2=CC=CC(=C2)C#N.[Br-]

InChI

InChI=1S/C13H16N4S.BrH/c1-2-17-9-15-13(16-10-17)18-8-12-5-3-4-11(6-12)7-14;/h3-6H,2,8-10H2,1H3,(H,15,16);1H/p-1