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

Systemtic Name: 3-chloranyl-N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)benzohydrazide Openeye Name: 3-chloro-N'-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)benzohydrazide Traditional Name: 3-chloro-N'-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]benzohydrazide Formula: C20H13ClN6O3S MolecularWeight: 452.87362

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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(=CC=C4)Cl)N=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN6O3S/c21-14-7-1-5-13(10-14)19(28)26-25-18-17(27(29)30)20(24-11-23-18)31-15-8-2-4-12-6-3-9-22-16(12)15/h1-11H,(H,26,28)(H,23,24,25)