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

Systemtic Name: 7-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H16N5OS+ MolecularWeight: 350.41754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N5OS/c1-12-7-8-15-19-14(9-16(24)23(15)10-12)11-25-18-20-17(21-22-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,22)/p+1