5-[4-[2-chloranylpropyl(ethyl)amino]phenyl]sulfanyl-2,4-dinitro-benzamide

Systemtic Name: 5-[4-[2-chloranylpropyl(ethyl)amino]phenyl]sulfanyl-2,4-dinitro-benzamide Openeye Name: 5-[4-[2-chloropropyl(ethyl)amino]phenyl]sulfanyl-2,4-dinitro-benzamide CAS Name: 5-[[4-[2-chloropropyl(ethyl)amino]phenyl]thio]-2,4-dinitrobenzamide IUPAC Name: 5-[4-[2-chloropropyl(ethyl)amino]phenyl]sulfanyl-2,4-dinitrobenzamide Traditional Name: 5-[[4-[2-chloropropyl(ethyl)amino]phenyl]thio]-2,4-dinitro-benzamide Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C)Cl)C1=CC=C(C=C1)SC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC(C)Cl)C1=CC=C(C=C1)SC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O5S/c1-3-21(10-11(2)19)12-4-6-13(7-5-12)29-17-8-14(18(20)24)15(22(25)26)9-16(17)23(27)28/h4-9,11H,3,10H2,1-2H3,(H2,20,24)