N'-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: N'-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H12ClN5O3S MolecularWeight: 401.82688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN5O3S/c18-12-6-8-13(9-7-12)27-17-14(23(25)26)15(19-10-20-17)21-22-16(24)11-4-2-1-3-5-11/h1-10H,(H,22,24)(H,19,20,21)