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

Systemtic Name: [4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(4-methylphenyl)carbonyl-carbamothioic S-acid Openeye Name: (4-methylbenzoyl)-[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]-[(4-methylphenyl)-oxomethyl]carbamothioic S-acid IUPAC Name: (4-methylbenzoyl)-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: [4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-p-toluoyl-thiocarbamic S-acid Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)C3=CC=C(C=C3)C)C(=O)S

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)C3=CC=C(C=C3)C)C(=O)S

InChI

InChI=1S/C20H19N3O3S/c1-12-3-5-15(6-4-12)19(25)23(20(26)27)16-9-7-14(8-10-16)18-13(2)11-17(24)21-22-18/h3-10,13H,11H2,1-2H3,(H,21,24)(H,26,27)