2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(2-phenoxyphenyl)ethanamide

Systemtic Name: 2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(2-phenoxyphenyl)ethanamide Openeye Name: 2-[[3-(4-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(2-phenoxyphenyl)acetamide CAS Name: 2-[[3-(4-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-N-(2-phenoxyphenyl)acetamide IUPAC Name: 2-[[3-(4-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(2-phenoxyphenyl)acetamide Traditional Name: 2-[[4-keto-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]-N-(2-phenoxyphenyl)acetamide Formula: C28H23N4O3S+ MolecularWeight: 495.57222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)NC4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)NC4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C28H22N4O3S/c1-19-15-16-29-25(17-19)32-27(34)21-11-5-6-12-22(21)31-28(32)36-18-26(33)30-23-13-7-8-14-24(23)35-20-9-3-2-4-10-20/h2-17H,18H2,1H3,(H,30,33)/p+1