methanesulfonic acid; (5-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-yl-methanone

Systemtic Name: methanesulfonic acid; (5-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-yl-methanone Openeye Name: methanesulfonic acid; (5-phenyl-3,4-dihydropyrazol-2-yl)-(3-pyridyl)methanone CAS Name: methanesulfonic acid; (5-phenyl-3,4-dihydropyrazol-2-yl)-(3-pyridinyl)methanone IUPAC Name: methanesulfonic acid; (5-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone Traditional Name: mesylic acid; (3-phenyl-2-pyrazolin-1-yl)-(3-pyridyl)methanone Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(N=C1C2=CC=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)O.C1CN(N=C1C2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C15H13N3O.CH4O3S/c19-15(13-7-4-9-16-11-13)18-10-8-14(17-18)12-5-2-1-3-6-12;1-5(2,3)4/h1-7,9,11H,8,10H2;1H3,(H,2,3,4)