2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(2-pyridylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[(2-pyridinylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[(2-pyridylthio)methyl]-3-pyrazolin-3-one Formula: C16H12N4OS2 MolecularWeight: 340.42268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)CSC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)CSC4=CC=CC=N4

InChI

InChI=1S/C16H12N4OS2/c21-15-9-11(10-22-14-7-3-4-8-17-14)19-20(15)16-18-12-5-1-2-6-13(12)23-16/h1-9,19H,10H2