3-(4-methylpyridin-2-yl)-2-(phenylmethylsulfanyl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-methylpyridin-2-yl)-2-(phenylmethylsulfanyl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-benzylsulfanyl-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 3-(4-methyl-2-pyridinyl)-2-(phenylmethylthio)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-benzylsulfanyl-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-(benzylthio)-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C21H18N3OS+ MolecularWeight: 360.45212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC4=CC=CC=C4

InChI

InChI=1S/C21H17N3OS/c1-15-11-12-22-19(13-15)24-20(25)17-9-5-6-10-18(17)23-21(24)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3/p+1