4-chloranyl-3-nitro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-3-nitro-N'-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-3-nitro-N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-3-nitro-N'-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]benzohydrazide Formula: C17H14ClN7O5S MolecularWeight: 463.85496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCNC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN7O5S/c18-12-4-3-10(8-13(12)24(27)28)17(26)23-22-16-14(25(29)30)15(20-9-21-16)19-6-5-11-2-1-7-31-11/h1-4,7-9H,5-6H2,(H,23,26)(H2,19,20,21,22)