3-methyl-2-(4-oxidanylbut-2-ynylsulfanyl)quinazolin-4-one

Systemtic Name: 3-methyl-2-(4-oxidanylbut-2-ynylsulfanyl)quinazolin-4-one Openeye Name: 2-(4-hydroxybut-2-ynylsulfanyl)-3-methyl-quinazolin-4-one CAS Name: 2-(4-hydroxybut-2-ynylthio)-3-methyl-4-quinazolinone IUPAC Name: 2-(4-hydroxybut-2-ynylsulfanyl)-3-methylquinazolin-4-one Traditional Name: 2-(4-hydroxybut-2-ynylthio)-3-methyl-quinazolin-4-one Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC#CCO

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC#CCO

InChI

InChI=1S/C13H12N2O2S/c1-15-12(17)10-6-2-3-7-11(10)14-13(15)18-9-5-4-8-16/h2-3,6-7,16H,8-9H2,1H3