4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(5-nitro-2-oxidanylidene-indol-3-yl)benzohydrazide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(5-nitro-2-oxidanylidene-indol-3-yl)benzohydrazide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(5-nitro-2-oxo-indol-3-yl)benzohydrazide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N'-(5-nitro-2-oxo-3-indolyl)benzohydrazide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(5-nitro-2-oxoindol-3-yl)benzohydrazide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N'-(2-keto-5-nitro-indol-3-yl)benzohydrazide Formula: C22H18N6O4S MolecularWeight: 462.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-])C

InChI

InChI=1S/C22H18N6O4S/c1-12-9-13(2)24-22(23-12)33-11-14-3-5-15(6-4-14)20(29)27-26-19-17-10-16(28(31)32)7-8-18(17)25-21(19)30/h3-10H,11H2,1-2H3,(H,27,29)(H,25,26,30)