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

Systemtic Name: [4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-pentanoyl-carbamothioic S-acid Openeye Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-pentanoyl-carbamothioic S-acid CAS Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(1-oxopentyl)carbamothioic S-acid IUPAC Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-pentanoylcarbamothioic S-acid Traditional Name: [4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-valeryl-thiocarbamic S-acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-3-4-5-15(22)20(17(23)24)13-8-6-12(7-9-13)16-11(2)10-14(21)18-19-16/h6-9,11H,3-5,10H2,1-2H3,(H,18,21)(H,23,24)