4-[(E)-[(5-chloranyl-3,4-dinitro-thiophen-2-yl)-methyl-hydrazinylidene]methyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-[(5-chloranyl-3,4-dinitro-thiophen-2-yl)-methyl-hydrazinylidene]methyl]benzenecarbonitrile Openeye Name: 4-[(E)-[(5-chloro-3,4-dinitro-2-thienyl)-methyl-hydrazono]methyl]benzonitrile CAS Name: 4-[(E)-[(5-chloro-3,4-dinitro-2-thiophenyl)-methylhydrazinylidene]methyl]benzonitrile IUPAC Name: 4-[(E)-[(5-chloro-3,4-dinitrothiophen-2-yl)-methylhydrazinylidene]methyl]benzonitrile Traditional Name: 4-[(E)-[(5-chloro-3,4-dinitro-2-thienyl)-methyl-hydrazono]methyl]benzonitrile Formula: C13H8ClN5O4S MolecularWeight: 365.75172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=C(S1)Cl)[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=C(C=C2)C#N

Isomeric SMILES

CN(C1=C(C(=C(S1)Cl)[N+](=O)[O-])[N+](=O)[O-])/N=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H8ClN5O4S/c1-17(16-7-9-4-2-8(6-15)3-5-9)13-11(19(22)23)10(18(20)21)12(14)24-13/h2-5,7H,1H3/b16-7+