7-chloranyl-2-ethanoyl-5-methylsulfanyl-1-(phenylmethyl)imidazo[1,2-c]pyrimidin-4-ium-3-olate

Systemtic Name: 7-chloranyl-2-ethanoyl-5-methylsulfanyl-1-(phenylmethyl)imidazo[1,2-c]pyrimidin-4-ium-3-olate Openeye Name: 2-acetyl-1-benzyl-7-chloro-5-methylsulfanyl-imidazo[1,2-c]pyrimidin-4-ium-3-olate CAS Name: 2-acetyl-7-chloro-5-(methylthio)-1-(phenylmethyl)-3-imidazo[1,2-c]pyrimidin-4-iumolate IUPAC Name: 2-acetyl-1-benzyl-7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidin-4-ium-3-olate Traditional Name: 2-acetyl-1-benzyl-7-chloro-5-(methylthio)imidazo[1,2-c]pyrimidin-4-ium-3-olate Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C([N+]2=C(N1CC3=CC=CC=C3)C=C(N=C2SC)Cl)[O-]

Isomeric SMILES

CC(=O)C1=C([N+]2=C(N1CC3=CC=CC=C3)C=C(N=C2SC)Cl)[O-]

InChI

InChI=1S/C16H14ClN3O2S/c1-10(21)14-15(22)20-13(8-12(17)18-16(20)23-2)19(14)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3