(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H14ClN5O3S MolecularWeight: 463.89626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl)C5=CC=CS5

InChI

InChI=1S/C22H14ClN5O3S/c23-14-8-9-18-24-15(11-19(29)27(18)12-14)13-31-22(30)20-25-21(17-7-4-10-32-17)28(26-20)16-5-2-1-3-6-16/h1-12H,13H2