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

Systemtic Name: [4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-propanoyl-carbamothioic S-acid Openeye Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-propanoyl-carbamothioic S-acid CAS Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(1-oxopropyl)carbamothioic S-acid IUPAC Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-propanoylcarbamothioic S-acid Traditional Name: [4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-propionyl-thiocarbamic S-acid Formula: C15H17N3O3S MolecularWeight: 319.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S/c1-3-13(20)18(15(21)22)11-6-4-10(5-7-11)14-9(2)8-12(19)16-17-14/h4-7,9H,3,8H2,1-2H3,(H,16,19)(H,21,22)