3-(4-methylpyridin-2-yl)-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-methylpyridin-2-yl)-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one Openeye Name: 2-acetonylsulfanyl-3-(4-methyl-2-pyridyl)quinazolin-4-one CAS Name: 3-(4-methyl-2-pyridinyl)-2-(2-oxopropylthio)-4-quinazolinone IUPAC Name: 3-(4-methylpyridin-2-yl)-2-(2-oxopropylsulfanyl)quinazolin-4-one Traditional Name: 2-(acetonylthio)-3-(4-methyl-2-pyridyl)quinazolin-4-one Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C

InChI

InChI=1S/C17H15N3O2S/c1-11-7-8-18-15(9-11)20-16(22)13-5-3-4-6-14(13)19-17(20)23-10-12(2)21/h3-9H,10H2,1-2H3