3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one CAS Name: 3-[(1,3-benzoxazol-2-ylthio)methyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one Traditional Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-2-pyrazolin-3-one Formula: C11H9N3O2S MolecularWeight: 247.27306

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1C(=NNC1=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C11H9N3O2S/c15-10-5-7(13-14-10)6-17-11-12-8-3-1-2-4-9(8)16-11/h1-4H,5-6H2,(H,14,15)