2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H14N3OS2+ MolecularWeight: 340.44256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H13N3OS2/c1-11-6-7-15-18-12(8-16(21)20(15)9-11)10-22-17-19-13-4-2-3-5-14(13)23-17/h2-9H,10H2,1H3/p+1