1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(2-pyrimidylthio)ethanone Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2O1)C(=O)CSC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](N(C2=CC=CC=C2O1)C(=O)CSC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O2S/c24-19(14-26-20-21-11-6-12-22-20)23-16-9-4-5-10-18(16)25-13-17(23)15-7-2-1-3-8-15/h1-12,17H,13-14H2/t17-/m1/s1