4-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-2-phenyl-1H-pyrazol-5-one hydrochloride

Systemtic Name: 4-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-2-phenyl-1H-pyrazol-5-one hydrochloride Openeye Name: 4-[(E)-2-(2-methylthiazol-4-yl)vinyl]-2-phenyl-1H-pyrazol-5-one hydrochloride CAS Name: 4-[(E)-2-(2-methyl-4-thiazolyl)ethenyl]-2-phenyl-1H-pyrazol-5-one hydrochloride IUPAC Name: 4-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-2-phenyl-1H-pyrazol-5-one hydrochloride Traditional Name: 4-[(E)-2-(2-methylthiazol-4-yl)vinyl]-1-phenyl-3-pyrazolin-3-one hydrochloride Formula: C15H14ClN3OS MolecularWeight: 319.80916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC2=CN(NC2=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=NC(=CS1)/C=C/C2=CN(NC2=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C15H13N3OS.ClH/c1-11-16-13(10-20-11)8-7-12-9-18(17-15(12)19)14-5-3-2-4-6-14;/h2-10H,1H3,(H,17,19);1H/b8-7+;