N-[4-(4-bromophenyl)sulfanylphenyl]-2-nitro-benzamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-nitro-benzamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-nitro-benzamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-2-nitrobenzamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-2-nitro-benzamide Formula: C19H13BrN2O3S MolecularWeight: 429.28712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O3S/c20-13-5-9-15(10-6-13)26-16-11-7-14(8-12-16)21-19(23)17-3-1-2-4-18(17)22(24)25/h1-12H,(H,21,23)