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

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(5-chloro-1,3-benzoxazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(5-chloro-1,3-benzoxazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H11ClN3O2S+ MolecularWeight: 344.79544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=CC2=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=CC2=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C16H10ClN3O2S/c17-10-4-5-13-12(7-10)19-16(22-13)23-9-11-8-15(21)20-6-2-1-3-14(20)18-11/h1-8H,9H2/p+1