3-chloranylpropanoyl-[4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid

Systemtic Name: 3-chloranylpropanoyl-[4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: 3-chloropropanoyl-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: (3-chloro-1-oxopropyl)-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: 3-chloropropanoyl-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: 3-chloropropanoyl-[4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C14H14ClN3O3S MolecularWeight: 339.79726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)CCCl)C(=O)S

Isomeric SMILES

C1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)CCCl)C(=O)S

InChI

InChI=1S/C14H14ClN3O3S/c15-8-7-13(20)18(14(21)22)10-3-1-9(2-4-10)11-5-6-12(19)17-16-11/h1-4H,5-8H2,(H,17,19)(H,21,22)