2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide Openeye Name: N-[(4-benzyloxyphenyl)methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[(4-phenylmethoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: N-(4-benzoxybenzyl)-2-(methylthio)nicotinamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S/c1-26-21-19(8-5-13-22-21)20(24)23-14-16-9-11-18(12-10-16)25-15-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,23,24)