5-[4-[bis(2-bromoethyl)amino]phenyl]sulfanyl-2,4-dinitro-benzamide

Systemtic Name: 5-[4-[bis(2-bromoethyl)amino]phenyl]sulfanyl-2,4-dinitro-benzamide Openeye Name: 5-[4-[bis(2-bromoethyl)amino]phenyl]sulfanyl-2,4-dinitro-benzamide CAS Name: 5-[[4-[bis(2-bromoethyl)amino]phenyl]thio]-2,4-dinitrobenzamide IUPAC Name: 5-[4-[bis(2-bromoethyl)amino]phenyl]sulfanyl-2,4-dinitrobenzamide Traditional Name: 5-[[4-[bis(2-bromoethyl)amino]phenyl]thio]-2,4-dinitro-benzamide Formula: C17H16Br2N4O5S MolecularWeight: 548.20574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCBr)CCBr)SC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(CCBr)CCBr)SC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16Br2N4O5S/c18-5-7-21(8-6-19)11-1-3-12(4-2-11)29-16-9-13(17(20)24)14(22(25)26)10-15(16)23(27)28/h1-4,9-10H,5-8H2,(H2,20,24)