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

Systemtic Name: 2-(4-fluorophenyl)ethanoyl-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: [2-(4-fluorophenyl)acetyl]-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: [2-(4-fluorophenyl)-1-oxoethyl]-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: [2-(4-fluorophenyl)acetyl]-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: [2-(4-fluorophenyl)acetyl]-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)CC3=CC=C(C=C3)F)C(=O)S

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)CC3=CC=C(C=C3)F)C(=O)S

InChI

InChI=1S/C20H18FN3O3S/c1-12-10-17(25)22-23-19(12)14-4-8-16(9-5-14)24(20(27)28)18(26)11-13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3,(H,22,25)(H,27,28)