4-(4-bromophenyl)sulfanyl-N-hexyl-3-nitro-benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-hexyl-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-hexyl-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-hexyl-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-hexyl-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-hexyl-3-nitro-benzamide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H21BrN2O3S/c1-2-3-4-5-12-21-19(23)14-6-11-18(17(13-14)22(24)25)26-16-9-7-15(20)8-10-16/h6-11,13H,2-5,12H2,1H3,(H,21,23)