2-(phenylmethylsulfanyl)-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-benzylsulfanyl-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-(phenylmethylthio)-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-(benzylthio)-N-(4-pyridyl)nicotinamide Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C18H15N3OS/c22-17(21-15-8-11-19-12-9-15)16-7-4-10-20-18(16)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,19,21,22)