3-(2,4-dinitrophenyl)sulfanyl-N,N-diethyl-propan-1-amine hydrochloride

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanyl-N,N-diethyl-propan-1-amine hydrochloride Openeye Name: 3-(2,4-dinitrophenyl)sulfanyl-N,N-diethyl-propan-1-amine hydrochloride CAS Name: 3-[(2,4-dinitrophenyl)thio]-N,N-diethyl-1-propanamine hydrochloride IUPAC Name: 3-(2,4-dinitrophenyl)sulfanyl-N,N-diethylpropan-1-amine hydrochloride Traditional Name: 3-[(2,4-dinitrophenyl)thio]propyl-diethyl-amine hydrochloride Formula: C13H20ClN3O4S MolecularWeight: 349.8336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C13H19N3O4S.ClH/c1-3-14(4-2)8-5-9-21-13-7-6-11(15(17)18)10-12(13)16(19)20;/h6-7,10H,3-5,8-9H2,1-2H3;1H