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

Systemtic Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-3-methyl-2-nitro-benzohydrazide Openeye Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3-methyl-2-nitro-benzohydrazide CAS Name: N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-3-methyl-2-nitrobenzohydrazide IUPAC Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3-methyl-2-nitrobenzohydrazide Traditional Name: N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]-3-methyl-2-nitro-benzohydrazide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H21N5O4S/c1-13-5-4-6-18(19(13)27(30)31)21(29)26-25-20(28)17-9-7-16(8-10-17)12-32-22-23-14(2)11-15(3)24-22/h4-11H,12H2,1-3H3,(H,25,28)(H,26,29)