1,3-bis(chloranyl)-2-isothiocyanato-5-nitro-benzene; ethane-1,2-diamine

Systemtic Name: 1,3-bis(chloranyl)-2-isothiocyanato-5-nitro-benzene; ethane-1,2-diamine Openeye Name: 1,3-dichloro-2-isothiocyanato-5-nitro-benzene; ethane-1,2-diamine CAS Name: 1,3-dichloro-2-isothiocyanato-5-nitrobenzene; ethane-1,2-diamine IUPAC Name: 1,3-dichloro-2-isothiocyanato-5-nitrobenzene; ethane-1,2-diamine Traditional Name: 2-aminoethylamine; 1,3-dichloro-2-isothiocyanato-5-nitro-benzene Formula: C9H10Cl2N4O2S MolecularWeight: 309.1723

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N=C=S)Cl)[N+](=O)[O-].C(CN)N

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N=C=S)Cl)[N+](=O)[O-].C(CN)N

InChI

InChI=1S/C7H2Cl2N2O2S.C2H8N2/c8-5-1-4(11(12)13)2-6(9)7(5)10-3-14;3-1-2-4/h1-2H;1-4H2