ethyl 4,6-dimethyl-2-[(4-methylphenyl)carbamothioylamino]-5-phenyldiazenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 4,6-dimethyl-2-[(4-methylphenyl)carbamothioylamino]-5-phenyldiazenyl-pyridine-3-carboxylate Openeye Name: ethyl 4,6-dimethyl-5-phenylazo-2-(p-tolylcarbamothioylamino)pyridine-3-carboxylate CAS Name: 4,6-dimethyl-2-[[(4-methylanilino)-sulfanylidenemethyl]amino]-5-phenyldiazenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dimethyl-2-[(4-methylphenyl)carbamothioylamino]-5-phenyldiazenylpyridine-3-carboxylate Traditional Name: 4,6-dimethyl-5-phenylazo-2-(p-tolylthiocarbamoylamino)nicotinic acid ethyl ester Formula: C24H25N5O2S MolecularWeight: 447.5526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1NC(=S)NC2=CC=C(C=C2)C)C)N=NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1NC(=S)NC2=CC=C(C=C2)C)C)N=NC3=CC=CC=C3)C

InChI

InChI=1S/C24H25N5O2S/c1-5-31-23(30)20-16(3)21(29-28-19-9-7-6-8-10-19)17(4)25-22(20)27-24(32)26-18-13-11-15(2)12-14-18/h6-14H,5H2,1-4H3,(H2,25,26,27,32)