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

Systemtic Name: 4-nitro-N'-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzohydrazide Openeye Name: 4-nitro-N'-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzohydrazide CAS Name: 4-nitro-N'-[5-nitro-6-(phenylthio)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-nitro-N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)benzohydrazide Traditional Name: 4-nitro-N'-[5-nitro-6-(phenylthio)pyrimidin-4-yl]benzohydrazide Formula: C17H12N6O5S MolecularWeight: 412.37938

Click to see the large picture

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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H12N6O5S/c24-16(11-6-8-12(9-7-11)22(25)26)21-20-15-14(23(27)28)17(19-10-18-15)29-13-4-2-1-3-5-13/h1-10H,(H,21,24)(H,18,19,20)