4-(4-bromophenyl)sulfanyl-N-(2,2-diethoxyethyl)-3-nitro-benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-N-(2,2-diethoxyethyl)-3-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-N-(2,2-diethoxyethyl)-3-nitro-benzamide CAS Name: 4-[(4-bromophenyl)thio]-N-(2,2-diethoxyethyl)-3-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-N-(2,2-diethoxyethyl)-3-nitrobenzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-(2,2-diethoxyethyl)-3-nitro-benzamide Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-])OCC

InChI

InChI=1S/C19H21BrN2O5S/c1-3-26-18(27-4-2)12-21-19(23)13-5-10-17(16(11-13)22(24)25)28-15-8-6-14(20)7-9-15/h5-11,18H,3-4,12H2,1-2H3,(H,21,23)