2-(4-methoxyphenyl)ethanoyl-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid

Systemtic Name: 2-(4-methoxyphenyl)ethanoyl-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: [2-(4-methoxyphenyl)acetyl]-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: [2-(4-methoxyphenyl)-1-oxoethyl]-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: [2-(4-methoxyphenyl)acetyl]-[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]-[2-(4-methoxyphenyl)acetyl]thiocarbamic S-acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)CC3=CC=C(C=C3)OC)C(=O)S

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)CC3=CC=C(C=C3)OC)C(=O)S

InChI

InChI=1S/C21H21N3O4S/c1-13-11-18(25)22-23-20(13)15-5-7-16(8-6-15)24(21(27)29)19(26)12-14-3-9-17(28-2)10-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,27,29)