N-(2-oxidanylpropyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(2-oxidanylpropyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 6-benzylsulfanyl-N-(2-hydroxypropyl)pyridine-3-carboxamide CAS Name: N-(2-hydroxypropyl)-6-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 6-benzylsulfanyl-N-(2-hydroxypropyl)pyridine-3-carboxamide Traditional Name: 6-(benzylthio)-N-(2-hydroxypropyl)nicotinamide Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CN=C(C=C1)SCC2=CC=CC=C2)O

Isomeric SMILES

CC(CNC(=O)C1=CN=C(C=C1)SCC2=CC=CC=C2)O

InChI

InChI=1S/C16H18N2O2S/c1-12(19)9-18-16(20)14-7-8-15(17-10-14)21-11-13-5-3-2-4-6-13/h2-8,10,12,19H,9,11H2,1H3,(H,18,20)