2-chloranyl-4-[ethyl-(3-phenyl-1-sulfanyl-propyl)amino]benzenediazonium sulfate

Systemtic Name: 2-chloranyl-4-[ethyl-(3-phenyl-1-sulfanyl-propyl)amino]benzenediazonium sulfate Openeye Name: 2-chloro-4-[ethyl-(3-phenyl-1-sulfanyl-propyl)amino]benzenediazonium sulfate CAS Name: 2-chloro-4-[ethyl-(1-mercapto-3-phenylpropyl)amino]benzenediazonium sulfate IUPAC Name: 2-chloro-4-[ethyl-(3-phenyl-1-sulfanylpropyl)amino]benzenediazonium sulfate Traditional Name: 2-chloro-4-[ethyl-(1-mercapto-3-phenyl-propyl)amino]benzenediazonium sulfate Formula: C17H19ClN3O4S2- MolecularWeight: 428.93346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=C(C=C1)[N+]#N)Cl)C(CCC2=CC=CC=C2)S.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCN(C1=CC(=C(C=C1)[N+]#N)Cl)C(CCC2=CC=CC=C2)S.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C17H18ClN3S.H2O4S/c1-2-21(14-9-10-16(20-19)15(18)12-14)17(22)11-8-13-6-4-3-5-7-13;1-5(2,3)4/h3-7,9-10,12,17H,2,8,11H2,1H3;(H2,1,2,3,4)/p-1