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

Systemtic Name: 4-[(E)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethenyl]-2-phenyl-1H-pyrazol-5-one hydrochloride Openeye Name: 4-[(E)-2-(2-tert-butylthiazol-4-yl)vinyl]-2-phenyl-1H-pyrazol-5-one hydrochloride CAS Name: 4-[(E)-2-(2-tert-butyl-4-thiazolyl)ethenyl]-2-phenyl-1H-pyrazol-5-one hydrochloride IUPAC Name: 4-[(E)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethenyl]-2-phenyl-1H-pyrazol-5-one hydrochloride Traditional Name: 4-[(E)-2-(2-tert-butylthiazol-4-yl)vinyl]-1-phenyl-3-pyrazolin-3-one hydrochloride Formula: C18H20ClN3OS MolecularWeight: 361.8889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CS1)C=CC2=CN(NC2=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)(C)C1=NC(=CS1)/C=C/C2=CN(NC2=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C18H19N3OS.ClH/c1-18(2,3)17-19-14(12-23-17)10-9-13-11-21(20-16(13)22)15-7-5-4-6-8-15;/h4-12H,1-3H3,(H,20,22);1H/b10-9+;