2-(cyanomethylsulfanyl)-N-[2-(4-phenoxyphenyl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[2-(4-phenoxyphenyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[2-(4-phenoxyphenyl)ethyl]pyridine-3-carboxamide CAS Name: 2-(cyanomethylthio)-N-[2-(4-phenoxyphenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[2-(4-phenoxyphenyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-(cyanomethylthio)-N-[2-(4-phenoxyphenyl)ethyl]nicotinamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCNC(=O)C3=C(N=CC=C3)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCNC(=O)C3=C(N=CC=C3)SCC#N

InChI

InChI=1S/C22H19N3O2S/c23-13-16-28-22-20(7-4-14-25-22)21(26)24-15-12-17-8-10-19(11-9-17)27-18-5-2-1-3-6-18/h1-11,14H,12,15-16H2,(H,24,26)