ethyl 4,6-dimethyl-2-(phenylcarbamothioylamino)-5-phenyldiazenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 4,6-dimethyl-2-(phenylcarbamothioylamino)-5-phenyldiazenyl-pyridine-3-carboxylate Openeye Name: ethyl 4,6-dimethyl-5-phenylazo-2-(phenylcarbamothioylamino)pyridine-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4,6-dimethyl-5-phenyldiazenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dimethyl-2-(phenylcarbamothioylamino)-5-phenyldiazenylpyridine-3-carboxylate Traditional Name: 4,6-dimethyl-5-phenylazo-2-(phenylthiocarbamoylamino)nicotinic acid ethyl ester Formula: C23H23N5O2S MolecularWeight: 433.52602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2S/c1-4-30-22(29)19-15(2)20(28-27-18-13-9-6-10-14-18)16(3)24-21(19)26-23(31)25-17-11-7-5-8-12-17/h5-14H,4H2,1-3H3,(H2,24,25,26,31)