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

Systemtic Name: (4-fluorophenyl)carbonyl-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: (4-fluorobenzoyl)-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: [(4-fluorophenyl)-oxomethyl]-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: (4-fluorobenzoyl)-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: (4-fluorobenzoyl)-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C19H16FN3O3S MolecularWeight: 385.412043

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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)F)C(=O)S

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O3S/c1-11-10-16(24)21-22-17(11)12-4-8-15(9-5-12)23(19(26)27)18(25)13-2-6-14(20)7-3-13/h2-9,11H,10H2,1H3,(H,21,24)(H,26,27)