2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H20N5OS+ MolecularWeight: 390.4814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)C=C(N2)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C21H19N5OS/c1-14-9-10-25-18(11-14)22-16(12-19(25)27)13-28-21-23-20(15-7-8-15)26(24-21)17-5-3-2-4-6-17/h2-6,9-12,15H,7-8,13H2,1H3/p+1