4-chloranyl-3-nitro-N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)benzohydrazide

Systemtic Name: 4-chloranyl-3-nitro-N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)benzohydrazide Openeye Name: 4-chloro-3-nitro-N'-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-3-nitro-N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)benzohydrazide Traditional Name: 4-chloro-3-nitro-N'-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]benzohydrazide Formula: C20H12ClN7O5S MolecularWeight: 497.87118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C20H12ClN7O5S/c21-13-7-6-12(9-14(13)27(30)31)19(29)26-25-18-17(28(32)33)20(24-10-23-18)34-15-5-1-3-11-4-2-8-22-16(11)15/h1-10H,(H,26,29)(H,23,24,25)