3-(4-methylpyridin-2-yl)-2-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-1H-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-methylpyridin-2-yl)-2-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-1H-quinazolin-3-ium-4-one Openeye Name: 3-(4-methyl-2-pyridyl)-2-(2-oxo-2-tetralin-6-yl-ethyl)sulfanyl-1H-quinazolin-3-ium-4-one CAS Name: 3-(4-methyl-2-pyridinyl)-2-[[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thio]-1H-quinazolin-3-ium-4-one IUPAC Name: 3-(4-methylpyridin-2-yl)-2-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-1H-quinazolin-3-ium-4-one Traditional Name: 2-[(2-keto-2-tetralin-6-yl-ethyl)thio]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C26H24N3O2S+ MolecularWeight: 442.55266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)C4=CC5=C(CCCC5)C=C4

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)C4=CC5=C(CCCC5)C=C4

InChI

InChI=1S/C26H23N3O2S/c1-17-12-13-27-24(14-17)29-25(31)21-8-4-5-9-22(21)28-26(29)32-16-23(30)20-11-10-18-6-2-3-7-19(18)15-20/h4-5,8-15H,2-3,6-7,16H2,1H3/p+1