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

Systemtic Name: 7-[[5-(3-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[5-(3-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[[5-(3-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[[5-(3-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[[5-(3-chlorophenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C23H19ClN5O2S2+ MolecularWeight: 497.01226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)[N+]4=C(N3)SC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)[N+]4=C(N3)SC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H18ClN5O2S2/c1-2-31-19-8-6-18(7-9-19)29-21(15-4-3-5-16(24)12-15)26-27-23(29)33-14-17-13-20(30)28-10-11-32-22(28)25-17/h3-13H,2,14H2,1H3/p+1