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

Systemtic Name: 3-[(3-cyclopropyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-cyclopropyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(3-cyclopropyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(3-cyclopropyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(3-cyclopropyl-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl)thio]methyl]benzonitrile Formula: C14H17N4S+ MolecularWeight: 273.37658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+]2CNC(=NC2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC1[NH+]2CNC(=NC2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C14H16N4S/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)/p+1