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

Systemtic Name: ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-4,6-dimethyl-5-phenyldiazenyl-pyridine-3-carboxylate Openeye Name: ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-4,6-dimethyl-5-phenylazo-pyridine-3-carboxylate CAS Name: 2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-4,6-dimethyl-5-phenyldiazenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-4,6-dimethyl-5-phenyldiazenylpyridine-3-carboxylate Traditional Name: 2-[(4-methoxyphenyl)thiocarbamoylamino]-4,6-dimethyl-5-phenylazo-nicotinic acid ethyl ester Formula: C24H25N5O3S MolecularWeight: 463.552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O3S/c1-5-32-23(30)20-15(2)21(29-28-18-9-7-6-8-10-18)16(3)25-22(20)27-24(33)26-17-11-13-19(31-4)14-12-17/h6-14H,5H2,1-4H3,(H2,25,26,27,33)