N-[4-(4-bromophenyl)sulfanylphenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C18H13BrN2O2S MolecularWeight: 401.27702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H13BrN2O2S/c19-14-3-7-16(8-4-14)24-17-9-5-15(6-10-17)20-18(22)13-2-1-11-21(23)12-13/h1-12H,(H,20,22)