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

Systemtic Name: N'-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide Openeye Name: N'-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide CAS Name: N'-[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide Traditional Name: N'-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]isonicotinohydrazide Formula: C16H11ClN6O3S MolecularWeight: 402.81494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=NC=C3)Cl

InChI

InChI=1S/C16H11ClN6O3S/c17-11-1-3-12(4-2-11)27-16-13(23(25)26)14(19-9-20-16)21-22-15(24)10-5-7-18-8-6-10/h1-9H,(H,22,24)(H,19,20,21)