1,5-dimethyl-2-phenyl-4-(thiomorpholin-4-ylmethyl)pyrazol-3-one chloride

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(thiomorpholin-4-ylmethyl)pyrazol-3-one chloride Openeye Name: 1,5-dimethyl-2-phenyl-4-(thiomorpholinomethyl)pyrazol-3-one chloride CAS Name: 1,5-dimethyl-2-phenyl-4-(thiomorpholin-4-ylmethyl)-3-pyrazolone chloride IUPAC Name: 1,5-dimethyl-2-phenyl-4-(thiomorpholin-4-ylmethyl)pyrazol-3-one chloride Traditional Name: 1,5-dimethyl-2-phenyl-4-(thiomorpholinomethyl)-3-pyrazolin-3-one chloride Formula: C16H21ClN3OS- MolecularWeight: 338.87544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCSCC3.[Cl-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCSCC3.[Cl-]

InChI

InChI=1S/C16H21N3OS.ClH/c1-13-15(12-18-8-10-21-11-9-18)16(20)19(17(13)2)14-6-4-3-5-7-14;/h3-7H,8-12H2,1-2H3;1H/p-1