7-chloranyl-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-chloranyl-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-chloro-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-chloro-2-[[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-chloro-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-chloro-2-[[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C14H13ClN5O2S+ MolecularWeight: 350.80332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C14H12ClN5O2S/c15-8-1-4-11-16-9(5-12(21)19(11)6-8)7-23-14-18-17-13(22)20(14)10-2-3-10/h1,4-6,10H,2-3,7H2,(H,17,22)/p+1