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

Systemtic Name: 5-azanyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4H-pyrazol-3-one Openeye Name: 5-amino-2-[(2-phenylthiazol-4-yl)methyl]-4H-pyrazol-3-one CAS Name: 5-amino-2-[(2-phenyl-4-thiazolyl)methyl]-4H-pyrazol-3-one IUPAC Name: 5-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4H-pyrazol-3-one Traditional Name: 5-amino-2-[(2-phenylthiazol-4-yl)methyl]-2-pyrazolin-3-one Formula: C13H12N4OS MolecularWeight: 272.32558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)CC2=CSC(=N2)C3=CC=CC=C3)N

Isomeric SMILES

C1C(=NN(C1=O)CC2=CSC(=N2)C3=CC=CC=C3)N

InChI

InChI=1S/C13H12N4OS/c14-11-6-12(18)17(16-11)7-10-8-19-13(15-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,16)