2-(2-methylpropylsulfanyl)-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-(2-methylpropylsulfanyl)-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-isobutylsulfanyl-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one CAS Name: 2-(2-methylpropylthio)-3-(5-methyl-2-pyridinyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-(2-methylpropylsulfanyl)-3-(5-methylpyridin-2-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-(isobutylthio)-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3OS/c1-12(2)11-23-18-20-15-7-5-4-6-14(15)17(22)21(18)16-9-8-13(3)10-19-16/h4-10,12H,11H2,1-3H3/p+1