2-chloranyl-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-thiophen-2-yl-pentanedinitrile

Systemtic Name: 2-chloranyl-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-thiophen-2-yl-pentanedinitrile Openeye Name: 2-chloro-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-(2-thienyl)pentanedinitrile CAS Name: 2-chloro-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-thiophen-2-ylpentanedinitrile IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-thiophen-2-ylpentanedinitrile Traditional Name: bis(2-chloroethyl)amine; 2,4-dinitro-3-(2-thienyl)glutaronitrile Formula: C17H24Cl4N6O4S MolecularWeight: 550.28726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C(C#N)[N+](=O)[O-])C(C#N)[N+](=O)[O-].C(CCl)NCCCl.C(CCl)NCCCl

Isomeric SMILES

C1=CSC(=C1)C(C(C#N)[N+](=O)[O-])C(C#N)[N+](=O)[O-].C(CCl)NCCCl.C(CCl)NCCCl

InChI

InChI=1S/C9H6N4O4S.2C4H9Cl2N/c10-4-6(12(14)15)9(7(5-11)13(16)17)8-2-1-3-18-8;2*5-1-3-7-4-2-6/h1-3,6-7,9H;2*7H,1-4H2