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

Systemtic Name: 3-methoxypropanoyl-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: 3-methoxypropanoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: (3-methoxy-1-oxopropyl)-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: 3-methoxypropanoyl-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: [4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(3-methoxypropanoyl)thiocarbamic S-acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-10-9-13(20)17-18-15(10)11-3-5-12(6-4-11)19(16(22)24)14(21)7-8-23-2/h3-6,10H,7-9H2,1-2H3,(H,17,20)(H,22,24)