6-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]pyridazin-3-olate

Systemtic Name: 6-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]pyridazin-3-olate Openeye Name: 6-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]pyridazin-3-olate CAS Name: 6-[[2-[(4-chlorophenyl)methylthio]ethylamino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]pyridazin-3-olate Traditional Name: 6-[2-[(4-chlorobenzyl)thio]ethylcarbamoyl]pyridazin-3-olate Formula: C14H13ClN3O2S- MolecularWeight: 322.78992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCNC(=O)C2=NN=C(C=C2)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSCCNC(=O)C2=NN=C(C=C2)[O-])Cl

InChI

InChI=1S/C14H14ClN3O2S/c15-11-3-1-10(2-4-11)9-21-8-7-16-14(20)12-5-6-13(19)18-17-12/h1-6H,7-9H2,(H,16,20)(H,18,19)/p-1