7-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-methyl-7-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H17N6O2S2+ MolecularWeight: 401.48588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC(=O)[N+]4=C(N3)SC=C4C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=CC(=O)[N+]4=C(N3)SC=C4C

InChI

InChI=1S/C17H16N6O2S2/c1-3-25-14-7-5-4-6-13(14)23-17(19-20-21-23)27-10-12-8-15(24)22-11(2)9-26-16(22)18-12/h4-9H,3,10H2,1-2H3/p+1