ethyl 2-azanyl-6-[(4-tert-butylphenyl)methylsulfanyl]-5-cyano-pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-[(4-tert-butylphenyl)methylsulfanyl]-5-cyano-pyridine-3-carboxylate Openeye Name: ethyl 2-amino-6-[(4-tert-butylphenyl)methylsulfanyl]-5-cyano-pyridine-3-carboxylate CAS Name: 2-amino-6-[(4-tert-butylphenyl)methylthio]-5-cyano-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-[(4-tert-butylphenyl)methylsulfanyl]-5-cyanopyridine-3-carboxylate Traditional Name: 2-amino-6-[(4-tert-butylbenzyl)thio]-5-cyano-nicotinic acid ethyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C20H23N3O2S/c1-5-25-19(24)16-10-14(11-21)18(23-17(16)22)26-12-13-6-8-15(9-7-13)20(2,3)4/h6-10H,5,12H2,1-4H3,(H2,22,23)