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

Systemtic Name: 2-(2-chloranylprop-2-enylsulfanyl)-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-(2-chloroallylsulfanyl)-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-(2-chloroprop-2-enylthio)-3-(4-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-(2-chloroprop-2-enylsulfanyl)-3-(4-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-(2-chloroallylthio)-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C17H15ClN3OS+ MolecularWeight: 344.8385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3OS/c1-11-7-8-19-15(9-11)21-16(22)13-5-3-4-6-14(13)20-17(21)23-10-12(2)18/h3-9H,2,10H2,1H3/p+1