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

Systemtic Name: ethyl 2-[(4-chlorophenyl)carbamothioylamino]-4,6-dimethyl-5-phenyldiazenyl-pyridine-3-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)carbamothioylamino]-4,6-dimethyl-5-phenylazo-pyridine-3-carboxylate CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-4,6-dimethyl-5-phenyldiazenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)carbamothioylamino]-4,6-dimethyl-5-phenyldiazenylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thiocarbamoylamino]-4,6-dimethyl-5-phenylazo-nicotinic acid ethyl ester Formula: C23H22ClN5O2S MolecularWeight: 467.97108

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)Cl)C)N=NC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5O2S/c1-4-31-22(30)19-14(2)20(29-28-18-8-6-5-7-9-18)15(3)25-21(19)27-23(32)26-17-12-10-16(24)11-13-17/h5-13H,4H2,1-3H3,(H2,25,26,27,32)