2-(4-oxidanylbut-2-ynylsulfanyl)-1H-quinazolin-4-one

Systemtic Name: 2-(4-oxidanylbut-2-ynylsulfanyl)-1H-quinazolin-4-one Openeye Name: 2-(4-hydroxybut-2-ynylsulfanyl)-1H-quinazolin-4-one CAS Name: 2-(4-hydroxybut-2-ynylthio)-1H-quinazolin-4-one IUPAC Name: 2-(4-hydroxybut-2-ynylsulfanyl)-1H-quinazolin-4-one Traditional Name: 2-(4-hydroxybut-2-ynylthio)-1H-quinazolin-4-one Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC#CCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC#CCO

InChI

InChI=1S/C12H10N2O2S/c15-7-3-4-8-17-12-13-10-6-2-1-5-9(10)11(16)14-12/h1-2,5-6,15H,7-8H2,(H,13,14,16)