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

Systemtic Name: 3-[[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[3-(3-methoxypropyl)-2,4-dihydro-1H-s-triazin-5-ium-6-yl]thio]methyl]benzonitrile Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1CNC(=[NH+]C1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

COCCCN1CNC(=[NH+]C1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H20N4OS/c1-20-7-3-6-19-11-17-15(18-12-19)21-10-14-5-2-4-13(8-14)9-16/h2,4-5,8H,3,6-7,10-12H2,1H3,(H,17,18)/p+1