4-chloranyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-3-nitro-benzohydrazide

Systemtic Name: 4-chloranyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]-3-nitro-benzohydrazide Formula: C21H18ClN5O4S MolecularWeight: 471.91672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H18ClN5O4S/c1-12-9-13(2)24-21(23-12)32-11-14-3-5-15(6-4-14)19(28)25-26-20(29)16-7-8-17(22)18(10-16)27(30)31/h3-10H,11H2,1-2H3,(H,25,28)(H,26,29)