N-[(4-bromophenyl)methyl]-3-sulfanyl-pyridine-2-carboxamide

Systemtic Name: N-[(4-bromophenyl)methyl]-3-sulfanyl-pyridine-2-carboxamide Openeye Name: N-[(4-bromophenyl)methyl]-3-sulfanyl-pyridine-2-carboxamide CAS Name: N-[(4-bromophenyl)methyl]-3-mercapto-2-pyridinecarboxamide IUPAC Name: N-[(4-bromophenyl)methyl]-3-sulfanylpyridine-2-carboxamide Traditional Name: N-(4-bromobenzyl)-3-mercapto-picolinamide Formula: C13H11BrN2OS MolecularWeight: 323.20824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C(=O)NCC2=CC=C(C=C2)Br)S

Isomeric SMILES

C1=CC(=C(N=C1)C(=O)NCC2=CC=C(C=C2)Br)S

InChI

InChI=1S/C13H11BrN2OS/c14-10-5-3-9(4-6-10)8-16-13(17)12-11(18)2-1-7-15-12/h1-7,18H,8H2,(H,16,17)