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

Systemtic Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-3-nitro-benzohydrazide Openeye Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3-nitro-benzohydrazide CAS Name: N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3-nitrobenzohydrazide Traditional Name: N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]-3-nitro-benzohydrazide Formula: C21H19N5O4S MolecularWeight: 437.47166

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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(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O4S/c1-13-10-14(2)23-21(22-13)31-12-15-6-8-16(9-7-15)19(27)24-25-20(28)17-4-3-5-18(11-17)26(29)30/h3-11H,12H2,1-2H3,(H,24,27)(H,25,28)