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

Systemtic Name: [4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(4-nitrophenyl)carbonyl-carbamothioic S-acid Openeye Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(4-nitrobenzoyl)carbamothioic S-acid CAS Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-[(4-nitrophenyl)-oxomethyl]carbamothioic S-acid IUPAC Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(4-nitrobenzoyl)carbamothioic S-acid Traditional Name: [4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(4-nitrobenzoyl)thiocarbamic S-acid Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)S

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)S

InChI

InChI=1S/C19H16N4O5S/c1-11-10-16(24)20-21-17(11)12-2-6-14(7-3-12)22(19(26)29)18(25)13-4-8-15(9-5-13)23(27)28/h2-9,11H,10H2,1H3,(H,20,24)(H,26,29)