2-azanyl-5-cyano-N-(2-methoxyphenyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-N-(2-methoxyphenyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 2-amino-6-benzylsulfanyl-5-cyano-N-(2-methoxyphenyl)pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-N-(2-methoxyphenyl)-6-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 2-amino-6-benzylsulfanyl-5-cyano-N-(2-methoxyphenyl)pyridine-3-carboxamide Traditional Name: 2-amino-6-(benzylthio)-5-cyano-N-(2-methoxyphenyl)nicotinamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2)C#N)SCC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2)C#N)SCC3=CC=CC=C3)N

InChI

InChI=1S/C21H18N4O2S/c1-27-18-10-6-5-9-17(18)24-20(26)16-11-15(12-22)21(25-19(16)23)28-13-14-7-3-2-4-8-14/h2-11H,13H2,1H3,(H2,23,25)(H,24,26)