2-chloranyl-5-methylsulfanyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide

Systemtic Name: 2-chloranyl-5-methylsulfanyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Openeye Name: 2-chloro-5-methylsulfanyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide CAS Name: 2-chloro-5-(methylthio)-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide IUPAC Name: 2-chloro-5-methylsulfanyl-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Traditional Name: 2-chloro-5-(methylthio)-N-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]benzamide Formula: C15H19ClN3OS+ MolecularWeight: 324.84886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1CNC(=O)C2=C(C=CC(=C2)SC)Cl)C)C

Isomeric SMILES

CC1=N[N+](=C(C1CNC(=O)C2=C(C=CC(=C2)SC)Cl)C)C

InChI

InChI=1S/C15H18ClN3OS/c1-9-13(10(2)19(3)18-9)8-17-15(20)12-7-11(21-4)5-6-14(12)16/h5-7,13H,8H2,1-4H3/p+1