2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N'-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide

Systemtic Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N'-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanehydrazide Openeye Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N'-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide CAS Name: 2-[[2-(1-azepanyl)-6-methyl-4-pyrimidinyl]thio]-N'-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide IUPAC Name: 2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]sulfanyl-N'-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Traditional Name: 2-[[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]thio]-N'-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCCCC2)SCC(=O)NNC=C3C=CC=CC3=O

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCCCC2)SCC(=O)NNC=C3C=CC=CC3=O

InChI

InChI=1S/C20H25N5O2S/c1-15-12-19(23-20(22-15)25-10-6-2-3-7-11-25)28-14-18(27)24-21-13-16-8-4-5-9-17(16)26/h4-5,8-9,12-13,21H,2-3,6-7,10-11,14H2,1H3,(H,24,27)