(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methylphenyl)propan-1-one

Systemtic Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methylphenyl)propan-1-one Openeye Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-1-(p-tolyl)propan-1-one CAS Name: (2S)-2-(1,3-benzoxazol-2-ylthio)-1-(4-methylphenyl)-1-propanone IUPAC Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methylphenyl)propan-1-one Traditional Name: (2S)-2-(1,3-benzoxazol-2-ylthio)-1-(p-tolyl)propan-1-one Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H15NO2S/c1-11-7-9-13(10-8-11)16(19)12(2)21-17-18-14-5-3-4-6-15(14)20-17/h3-10,12H,1-2H3/t12-/m0/s1