1-(3-methylphenyl)-7-phenyl-3-thiophen-2-ylcarbonyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-5-one

Systemtic Name: 1-(3-methylphenyl)-7-phenyl-3-thiophen-2-ylcarbonyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-5-one Openeye Name: 1-(m-tolyl)-7-phenyl-3-(thiophene-2-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-5-one CAS Name: 1-(3-methylphenyl)-3-[oxo(thiophen-2-yl)methyl]-7-phenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-5-one IUPAC Name: 1-(3-methylphenyl)-7-phenyl-3-(thiophene-2-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-5-one Traditional Name: 1-(m-tolyl)-7-phenyl-3-(2-thenoyl)-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-5-one Formula: C23H17N4O2S+ MolecularWeight: 413.47168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=NC(=CC(=O)[N+]3=C(N2)C(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=NC(=CC(=O)[N+]3=C(N2)C(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H16N4O2S/c1-15-7-5-10-17(13-15)27-23-24-18(16-8-3-2-4-9-16)14-20(28)26(23)22(25-27)21(29)19-11-6-12-30-19/h2-14H,1H3/p+1