2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)ethanone Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NN(C(C1)(C)O)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H15N3O2S2/c1-9-7-14(2,19)17(16-9)12(18)8-20-13-15-10-5-3-4-6-11(10)21-13/h3-6,19H,7-8H2,1-2H3