6-[5-methyl-4-[2-[(4-methylphenyl)methylsulfanyl]ethylcarbamoyl]pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[5-methyl-4-[2-[(4-methylphenyl)methylsulfanyl]ethylcarbamoyl]pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[5-methyl-4-[2-(p-tolylmethylsulfanyl)ethylcarbamoyl]pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[5-methyl-4-[[2-[(4-methylphenyl)methylthio]ethylamino]-oxomethyl]-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[5-methyl-4-[2-[(4-methylphenyl)methylsulfanyl]ethylcarbamoyl]pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[5-methyl-4-[2-[(4-methylbenzyl)thio]ethylcarbamoyl]pyrazol-1-yl]pyridazin-3-olate Formula: C19H20N5O2S- MolecularWeight: 382.4594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])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)/p-1