(4S)-4-(1,3-benzoxazol-2-ylsulfanyl)-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: (4S)-4-(1,3-benzoxazol-2-ylsulfanyl)-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: (4S)-4-(1,3-benzoxazol-2-ylsulfanyl)-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: (4S)-4-(1,3-benzoxazol-2-ylthio)-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: (4S)-4-(1,3-benzoxazol-2-ylsulfanyl)-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: (4S)-4-(1,3-benzoxazol-2-ylthio)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1SC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)[C@H]1SC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C17H13N3O2S/c1-11-15(16(21)20(19-11)12-7-3-2-4-8-12)23-17-18-13-9-5-6-10-14(13)22-17/h2-10,15H,1H3/t15-/m0/s1