2-[2,4-bis(chloranyl)phenoxy]-N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)ethanehydrazide

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)ethanehydrazide Openeye Name: 2-(2,4-dichlorophenoxy)-N'-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]acetohydrazide CAS Name: 2-(2,4-dichlorophenoxy)-N'-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]acetohydrazide IUPAC Name: 2-(2,4-dichlorophenoxy)-N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)acetohydrazide Traditional Name: 2-(2,4-dichlorophenoxy)-N'-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]acetohydrazide Formula: C21H14Cl2N6O4S MolecularWeight: 517.34466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NNC(=O)COC4=C(C=C(C=C4)Cl)Cl)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NNC(=O)COC4=C(C=C(C=C4)Cl)Cl)N=CC=C2

InChI

InChI=1S/C21H14Cl2N6O4S/c22-13-6-7-15(14(23)9-13)33-10-17(30)27-28-20-19(29(31)32)21(26-11-25-20)34-16-5-1-3-12-4-2-8-24-18(12)16/h1-9,11H,10H2,(H,27,30)(H,25,26,28)