1-[4-phenyl-3-(1,2,4-triazol-4-yl)pyrazol-1-yl]ethanone hydrochloride

Systemtic Name: 1-[4-phenyl-3-(1,2,4-triazol-4-yl)pyrazol-1-yl]ethanone hydrochloride Openeye Name: 1-[4-phenyl-3-(1,2,4-triazol-4-yl)pyrazol-1-yl]ethanone hydrochloride CAS Name: 1-[4-phenyl-3-(1,2,4-triazol-4-yl)-1-pyrazolyl]ethanone hydrochloride IUPAC Name: 1-[4-phenyl-3-(1,2,4-triazol-4-yl)pyrazol-1-yl]ethanone hydrochloride Traditional Name: 1-[4-phenyl-3-(1,2,4-triazol-4-yl)pyrazol-1-yl]ethanone hydrochloride Formula: C13H12ClN5O MolecularWeight: 289.72028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C(=N1)N2C=NN=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(=O)N1C=C(C(=N1)N2C=NN=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C13H11N5O.ClH/c1-10(19)18-7-12(11-5-3-2-4-6-11)13(16-18)17-8-14-15-9-17;/h2-9H,1H3;1H