2-[(4-pyrazol-1-ylphenyl)methyl]-1,2-thiazol-3-one

Systemtic Name: 2-[(4-pyrazol-1-ylphenyl)methyl]-1,2-thiazol-3-one Openeye Name: 2-[(4-pyrazol-1-ylphenyl)methyl]isothiazol-3-one CAS Name: 2-[[4-(1-pyrazolyl)phenyl]methyl]-3-isothiazolone IUPAC Name: 2-[(4-pyrazol-1-ylphenyl)methyl]-1,2-thiazol-3-one Traditional Name: 2-(4-pyrazol-1-ylbenzyl)-4-isothiazolin-3-one Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CN3C(=O)C=CS3

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CN3C(=O)C=CS3

InChI

InChI=1S/C13H11N3OS/c17-13-6-9-18-16(13)10-11-2-4-12(5-3-11)15-8-1-7-14-15/h1-9H,10H2