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

Systemtic Name: 2-methylpropanoyl-[4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: 2-methylpropanoyl-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: (2-methyl-1-oxopropyl)-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: 2-methylpropanoyl-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: isobutyryl-[4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(C1=CC=C(C=C1)C2=NNC(=O)CC2)C(=O)S

Isomeric SMILES

CC(C)C(=O)N(C1=CC=C(C=C1)C2=NNC(=O)CC2)C(=O)S

InChI

InChI=1S/C15H17N3O3S/c1-9(2)14(20)18(15(21)22)11-5-3-10(4-6-11)12-7-8-13(19)17-16-12/h3-6,9H,7-8H2,1-2H3,(H,17,19)(H,21,22)