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

Systemtic Name: 7-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[(1,3-benzoxazol-2-ylthio)methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(1,3-benzoxazol-2-ylthio)methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C15H12N3O2S2+ MolecularWeight: 330.40468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C15H11N3O2S2/c1-9-7-21-14-16-10(6-13(19)18(9)14)8-22-15-17-11-4-2-3-5-12(11)20-15/h2-7H,8H2,1H3/p+1