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

Systemtic Name: [4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-pent-4-enoyl-carbamothioic S-acid Openeye Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-pent-4-enoyl-carbamothioic S-acid CAS Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(1-oxopent-4-enyl)carbamothioic S-acid IUPAC Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-pent-4-enoylcarbamothioic S-acid Traditional Name: [4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-pent-4-enoyl-thiocarbamic S-acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-3-4-5-15(22)20(17(23)24)13-8-6-12(7-9-13)16-11(2)10-14(21)18-19-16/h3,6-9,11H,1,4-5,10H2,2H3,(H,18,21)(H,23,24)