2-[(4-tert-butylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-3-carboxamide CAS Name: 2-[(4-tert-butylphenyl)methylthio]-N-(2-oxolanylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[(4-tert-butylbenzyl)thio]-N-(tetrahydrofurfuryl)nicotinamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)NCC3CCCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)NCC3CCCO3

InChI

InChI=1S/C22H28N2O2S/c1-22(2,3)17-10-8-16(9-11-17)15-27-21-19(7-4-12-23-21)20(25)24-14-18-6-5-13-26-18/h4,7-12,18H,5-6,13-15H2,1-3H3,(H,24,25)