3-[(3-ethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(3-ethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-ethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(3-ethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(3-ethyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(3-ethyl-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl)thio]methyl]benzonitrile Formula: C13H17N4S+ MolecularWeight: 261.36588

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CNC(=NC1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC[NH+]1CNC(=NC1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H16N4S/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)/p+1