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

Systemtic Name: 4-chloranylbutanoyl-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: 4-chlorobutanoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: (4-chloro-1-oxobutyl)-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: 4-chlorobutanoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: 4-chlorobutanoyl-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3S/c1-10-9-13(21)18-19-15(10)11-4-6-12(7-5-11)20(16(23)24)14(22)3-2-8-17/h4-7,10H,2-3,8-9H2,1H3,(H,18,21)(H,23,24)