5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-3-pyrazolin-3-one Formula: C11H9N3OS2 MolecularWeight: 263.33866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)NN3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)NN3

InChI

InChI=1S/C11H9N3OS2/c15-10-5-7(13-14-10)6-16-11-12-8-3-1-2-4-9(8)17-11/h1-5H,6H2,(H2,13,14,15)