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

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(4-nitrophenyl)carbonyl-benzohydrazide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(4-nitrobenzoyl)benzohydrazide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N'-[(4-nitrophenyl)-oxomethyl]benzohydrazide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(4-nitrobenzoyl)benzohydrazide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N'-(4-nitrobenzoyl)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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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