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

Systemtic Name: [4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(phenylcarbonyl)carbamothioic S-acid Openeye Name: benzoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: benzoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: benzoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: benzoyl-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S/c1-12-11-16(23)20-21-17(12)13-7-9-15(10-8-13)22(19(25)26)18(24)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,23)(H,25,26)