3-methyl-7-[(4-methylphenyl)methylsulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methylsulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-(p-tolylmethylsulfanylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[[(4-methylphenyl)methylthio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-[(4-methylphenyl)methylsulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-methyl-7-[[(4-methylbenzyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C16H17N2OS2+ MolecularWeight: 317.44898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC2=CC(=O)[N+]3=C(N2)SC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2=CC(=O)[N+]3=C(N2)SC=C3C

InChI

InChI=1S/C16H16N2OS2/c1-11-3-5-13(6-4-11)9-20-10-14-7-15(19)18-12(2)8-21-16(18)17-14/h3-8H,9-10H2,1-2H3/p+1