2-phenylsulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-(4-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-(pyridin-4-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-(4-pyridylmethyl)nicotinamide Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=NC=C3

InChI

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