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

Systemtic Name: 7-[(3-methoxyphenyl)methylsulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(3-methoxyphenyl)methylsulfanylmethyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(3-methoxyphenyl)methylthio]methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(3-methoxyphenyl)methylsulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(m-anisylthio)methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C16H17N2O2S2+ MolecularWeight: 333.44838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CSCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CSCC3=CC(=CC=C3)OC

InChI

InChI=1S/C16H16N2O2S2/c1-11-8-22-16-17-13(7-15(19)18(11)16)10-21-9-12-4-3-5-14(6-12)20-2/h3-8H,9-10H2,1-2H3/p+1