N-[2-(4-bromophenyl)sulfanylethyl]-4-nitro-1H-pyrrole-2-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-nitro-1H-pyrrole-2-carboxamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-nitro-1H-pyrrole-2-carboxamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-4-nitro-1H-pyrrole-2-carboxamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-nitro-1H-pyrrole-2-carboxamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-4-nitro-1H-pyrrole-2-carboxamide Formula: C13H12BrN3O3S MolecularWeight: 370.22168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)C2=CC(=CN2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)C2=CC(=CN2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrN3O3S/c14-9-1-3-11(4-2-9)21-6-5-15-13(18)12-7-10(8-16-12)17(19)20/h1-4,7-8,16H,5-6H2,(H,15,18)