1-(4-chlorophenyl)-6-oxidanylidene-4-propylsulfanyl-pyridazine-3-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)-6-oxidanylidene-4-propylsulfanyl-pyridazine-3-carboxylic acid Openeye Name: 1-(4-chlorophenyl)-6-oxo-4-propylsulfanyl-pyridazine-3-carboxylic acid CAS Name: 1-(4-chlorophenyl)-6-oxo-4-(propylthio)-3-pyridazinecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-6-oxo-4-propylsulfanylpyridazine-3-carboxylic acid Traditional Name: 1-(4-chlorophenyl)-6-keto-4-(propylthio)pyridazine-3-carboxylic acid Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=O)N(N=C1C(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCSC1=CC(=O)N(N=C1C(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-2-7-21-11-8-12(18)17(16-13(11)14(19)20)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,19,20)