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

Systemtic Name: 3-[(3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfanylmethyl]benzenecarbonitrile bromide Openeye Name: 3-[(3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfanylmethyl]benzonitrile bromide CAS Name: 3-[[(3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)thio]methyl]benzonitrile bromide IUPAC Name: 3-[(3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)sulfanylmethyl]benzonitrile bromide Traditional Name: 3-[[(3-cyclopropyl-2,4-dihydro-1H-s-triazin-6-yl)thio]methyl]benzonitrile bromide Formula: C14H16BrN4S- MolecularWeight: 352.27264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CNC(=NC2)SCC3=CC=CC(=C3)C#N.[Br-]

Isomeric SMILES

C1CC1N2CNC(=NC2)SCC3=CC=CC(=C3)C#N.[Br-]

InChI

InChI=1S/C14H16N4S.BrH/c15-7-11-2-1-3-12(6-11)8-19-14-16-9-18(10-17-14)13-4-5-13;/h1-3,6,13H,4-5,8-10H2,(H,16,17);1H/p-1