7-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(2-phenylthiazol-4-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[(2-phenyl-4-thiazolyl)methylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[[(2-phenylthiazol-4-yl)methylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H18N3OS2+ MolecularWeight: 380.50642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3OS2/c1-14-7-8-18-21-16(9-19(24)23(18)10-14)11-25-12-17-13-26-20(22-17)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3/p+1