4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N'-[(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzohydrazide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N'-[(5-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC=C3C=CC=C(C3=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC=C3C=CC=C(C3=O)O)C

InChI

InChI=1S/C21H20N4O3S/c1-13-10-14(2)24-21(23-13)29-12-15-6-8-16(9-7-15)20(28)25-22-11-17-4-3-5-18(26)19(17)27/h3-11,22,26H,12H2,1-2H3,(H,25,28)