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

Systemtic Name: 4-[(3-methyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-methyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(3-methyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(3-methyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(3-methyl-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl)thio]methyl]benzonitrile Formula: C12H15N4S+ MolecularWeight: 247.3393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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