2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H18N5OS+ MolecularWeight: 328.41202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=NN=C(N3C)C4CC4

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=NN=C(N3C)C4CC4

InChI

InChI=1S/C16H17N5OS/c1-10-4-3-5-13-17-12(8-14(22)21(10)13)9-23-16-19-18-15(20(16)2)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3/p+1