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

Systemtic Name: 2-azanyl-5-cyano-N-(2-methoxyphenyl)-6-phenacylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-N-(2-methoxyphenyl)-6-phenacylsulfanyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-N-(2-methoxyphenyl)-6-(phenacylthio)-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-N-(2-methoxyphenyl)-6-phenacylsulfanylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-N-(2-methoxyphenyl)-6-(phenacylthio)nicotinamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3S/c1-29-19-10-6-5-9-17(19)25-21(28)16-11-15(12-23)22(26-20(16)24)30-13-18(27)14-7-3-2-4-8-14/h2-11H,13H2,1H3,(H2,24,26)(H,25,28)