2-[(1S)-1-(4-methylphenyl)sulfanylethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-(4-methylphenyl)sulfanylethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-(p-tolylsulfanyl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[(4-methylphenyl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-(4-methylphenyl)sulfanylethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-(p-tolylthio)ethyl]-1H-quinazolin-4-one Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H16N2OS/c1-11-7-9-13(10-8-11)21-12(2)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-10,12H,1-2H3,(H,18,19,20)/t12-/m0/s1