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

Systemtic Name: (4-cyanophenyl)carbonyl-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Openeye Name: (4-cyanobenzoyl)-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid CAS Name: [(4-cyanophenyl)-oxomethyl]-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid IUPAC Name: (4-cyanobenzoyl)-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioic S-acid Traditional Name: (4-cyanobenzoyl)-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C20H16N4O3S MolecularWeight: 392.43104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O3S/c1-12-10-17(25)22-23-18(12)14-6-8-16(9-7-14)24(20(27)28)19(26)15-4-2-13(11-21)3-5-15/h2-9,12H,10H2,1H3,(H,22,25)(H,27,28)