1-[4-methoxy-3-[(3-methyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl)sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[(3-methyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(3-methyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[(3-methyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(3-methyl-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(3-methyl-2,4-dihydro-1H-s-triazin-5-ium-6-yl)thio]methyl]phenyl]ethanone Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=[NH+]CN(CN2)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=[NH+]CN(CN2)C

InChI

InChI=1S/C14H19N3O2S/c1-10(18)11-4-5-13(19-3)12(6-11)7-20-14-15-8-17(2)9-16-14/h4-6H,7-9H2,1-3H3,(H,15,16)/p+1