6-oxidanylidene-1-phenyl-4-propylsulfanyl-pyridazine-3-carboxylate

Systemtic Name: 6-oxidanylidene-1-phenyl-4-propylsulfanyl-pyridazine-3-carboxylate Openeye Name: 6-oxo-1-phenyl-4-propylsulfanyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4-(propylthio)-3-pyridazinecarboxylate IUPAC Name: 6-oxo-1-phenyl-4-propylsulfanylpyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4-(propylthio)pyridazine-3-carboxylate Formula: C14H13N2O3S- MolecularWeight: 289.32962

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=O)N(N=C1C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCSC1=CC(=O)N(N=C1C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O3S/c1-2-8-20-11-9-12(17)16(15-13(11)14(18)19)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,18,19)/p-1