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

Systemtic Name: butanoyl-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: butanoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(1-oxobutyl)carbamothioic S-acid IUPAC Name: butanoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: butyryl-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-3-4-14(21)19(16(22)23)12-7-5-11(6-8-12)15-10(2)9-13(20)17-18-15/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)(H,22,23)