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

Systemtic Name: 2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[[3-(4-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-(4-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[[3-(4-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetamide Traditional Name: N-(2-benzylphenyl)-2-[[4-keto-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]acetamide Formula: C29H25N4O2S+ MolecularWeight: 493.5994

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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=C4CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)NC4=CC=CC=C4CC5=CC=CC=C5

InChI

InChI=1S/C29H24N4O2S/c1-20-15-16-30-26(17-20)33-28(35)23-12-6-8-14-25(23)32-29(33)36-19-27(34)31-24-13-7-5-11-22(24)18-21-9-3-2-4-10-21/h2-17H,18-19H2,1H3,(H,31,34)/p+1