N-(2,4-diisothiocyanatophenyl)-N',N'-diethyl-ethane-1,2-diamine chloride

Systemtic Name: N-(2,4-diisothiocyanatophenyl)-N',N'-diethyl-ethane-1,2-diamine chloride Openeye Name: N-(2,4-diisothiocyanatophenyl)-N',N'-diethyl-ethane-1,2-diamine chloride CAS Name: N-(2,4-diisothiocyanatophenyl)-N',N'-diethylethane-1,2-diamine chloride IUPAC Name: N-(2,4-diisothiocyanatophenyl)-N',N'-diethylethane-1,2-diamine chloride Traditional Name: 2-(2,4-diisothiocyanatoanilino)ethyl-diethyl-amine chloride Formula: C14H18ClN4S2- MolecularWeight: 341.90252

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C(C=C(C=C1)N=C=S)N=C=S.[Cl-]

Isomeric SMILES

CCN(CC)CCNC1=C(C=C(C=C1)N=C=S)N=C=S.[Cl-]

InChI

InChI=1S/C14H18N4S2.ClH/c1-3-18(4-2)8-7-15-13-6-5-12(16-10-19)9-14(13)17-11-20;/h5-6,9,15H,3-4,7-8H2,1-2H3;1H/p-1