2-[(4-bromophenyl)methylsulfanyl]-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-N-(3-isobutoxypropyl)pyridine-3-carboxamide CAS Name: 2-[(4-bromophenyl)methylthio]-N-[3-(2-methylpropoxy)propyl]-3-pyridinecarboxamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide Traditional Name: 2-[(4-bromobenzyl)thio]-N-(3-isobutoxypropyl)nicotinamide Formula: C20H25BrN2O2S MolecularWeight: 437.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCCNC(=O)C1=C(N=CC=C1)SCC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)COCCCNC(=O)C1=C(N=CC=C1)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H25BrN2O2S/c1-15(2)13-25-12-4-11-22-19(24)18-5-3-10-23-20(18)26-14-16-6-8-17(21)9-7-16/h3,5-10,15H,4,11-14H2,1-2H3,(H,22,24)