2-[(2-oxidanyl-2-phenyl-ethyl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(2-oxidanyl-2-phenyl-ethyl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(2-hydroxy-2-phenyl-ethyl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(2-hydroxy-2-phenylethyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(2-hydroxy-2-phenylethyl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(2-hydroxy-2-phenyl-ethyl)thio]methyl]-1H-quinazolin-4-one Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CSCC2=NC(=O)C3=CC=CC=C3N2)O

Isomeric SMILES

C1=CC=C(C=C1)C(CSCC2=NC(=O)C3=CC=CC=C3N2)O

InChI

InChI=1S/C17H16N2O2S/c20-15(12-6-2-1-3-7-12)10-22-11-16-18-14-9-5-4-8-13(14)17(21)19-16/h1-9,15,20H,10-11H2,(H,18,19,21)