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

Systemtic Name: 3-ethoxypropanoyl-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: 3-ethoxypropanoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: (3-ethoxy-1-oxopropyl)-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: 3-ethoxypropanoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: 3-ethoxypropanoyl-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)N(C1=CC=C(C=C1)C2=NNC(=O)CC2C)C(=O)S

Isomeric SMILES

CCOCCC(=O)N(C1=CC=C(C=C1)C2=NNC(=O)CC2C)C(=O)S

InChI

InChI=1S/C17H21N3O4S/c1-3-24-9-8-15(22)20(17(23)25)13-6-4-12(5-7-13)16-11(2)10-14(21)18-19-16/h4-7,11H,3,8-10H2,1-2H3,(H,18,21)(H,23,25)