4-chloranyl-3-nitro-N'-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzohydrazide

Systemtic Name: 4-chloranyl-3-nitro-N'-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzohydrazide Openeye Name: 4-chloro-3-nitro-N'-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-(phenylthio)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-3-nitro-N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)benzohydrazide Traditional Name: 4-chloro-3-nitro-N'-[5-nitro-6-(phenylthio)pyrimidin-4-yl]benzohydrazide Formula: C17H11ClN6O5S MolecularWeight: 446.82444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H11ClN6O5S/c18-12-7-6-10(8-13(12)23(26)27)16(25)22-21-15-14(24(28)29)17(20-9-19-15)30-11-4-2-1-3-5-11/h1-9H,(H,22,25)(H,19,20,21)