N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[[3-(4-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-[[3-(4-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetamide Traditional Name: 2-[[4-keto-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C26H23N6O2S+ MolecularWeight: 483.56482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)NC4=CC(=NN4C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)NC4=CC(=NN4C5=CC=CC=C5)C

InChI

InChI=1S/C26H22N6O2S/c1-17-12-13-27-22(14-17)31-25(34)20-10-6-7-11-21(20)28-26(31)35-16-24(33)29-23-15-18(2)30-32(23)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,29,30,33)/p+1