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

Systemtic Name: 3-bromanylpropanoyl-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: 3-bromopropanoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: (3-bromo-1-oxopropyl)-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: 3-bromopropanoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: 3-bromopropanoyl-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C15H16BrN3O3S MolecularWeight: 398.27484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O3S/c1-9-8-12(20)17-18-14(9)10-2-4-11(5-3-10)19(15(22)23)13(21)6-7-16/h2-5,9H,6-8H2,1H3,(H,17,20)(H,22,23)