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

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

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)C(C)C)C(=O)S

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)C(C)C)C(=O)S

InChI

InChI=1S/C16H19N3O3S/c1-9(2)15(21)19(16(22)23)12-6-4-11(5-7-12)14-10(3)8-13(20)17-18-14/h4-7,9-10H,8H2,1-3H3,(H,17,20)(H,22,23)