(2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[[5-(dimethylsulfamoyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: (2S)-2-[[5-(dimethylsulfamoyl)-2-pyridyl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)SC3=NC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H25N5O4S2/c1-14-19(21(28)26(25(14)5)16-9-7-6-8-10-16)23-20(27)15(2)31-18-12-11-17(13-22-18)32(29,30)24(3)4/h6-13,15H,1-5H3,(H,23,27)/t15-/m0/s1