2-azanyl-5-cyano-6-[(4-cyanophenyl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-6-[(4-cyanophenyl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-6-[(4-cyanophenyl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-6-[(4-cyanophenyl)methylthio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-6-[(4-cyanophenyl)methylsulfanyl]-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[(4-cyanobenzyl)thio]-N-phenyl-nicotinamide Formula: C21H15N5OS MolecularWeight: 385.4417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C(N=C(C(=C2)C#N)SCC3=CC=C(C=C3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C(N=C(C(=C2)C#N)SCC3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C21H15N5OS/c22-11-14-6-8-15(9-7-14)13-28-21-16(12-23)10-18(19(24)26-21)20(27)25-17-4-2-1-3-5-17/h1-10H,13H2,(H2,24,26)(H,25,27)