5-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazole-4-carboxamide Openeye Name: 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[2-(p-tolylmethylsulfanyl)ethyl]pyrazole-4-carboxamide CAS Name: 5-methyl-N-[2-[(4-methylphenyl)methylthio]ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide Traditional Name: 1-(6-keto-1H-pyridazin-3-yl)-5-methyl-N-[2-[(4-methylbenzyl)thio]ethyl]pyrazole-4-carboxamide Formula: C19H21N5O2S MolecularWeight: 383.46734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C

InChI

InChI=1S/C19H21N5O2S/c1-13-3-5-15(6-4-13)12-27-10-9-20-19(26)16-11-21-24(14(16)2)17-7-8-18(25)23-22-17/h3-8,11H,9-10,12H2,1-2H3,(H,20,26)(H,23,25)