N-[2-[2-[2-(4-methylphenyl)sulfanylethanoyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-[2-(4-methylphenyl)sulfanylethanoyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[2-[2-(p-tolylsulfanyl)acetyl]hydrazino]ethyl]benzamide CAS Name: N-[2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]hydrazo]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[N'-[2-(p-tolylthio)acetyl]hydrazino]ethyl]-3-nitro-benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-12-5-7-15(8-6-12)28-11-17(24)21-20-16(23)10-19-18(25)13-3-2-4-14(9-13)22(26)27/h2-9H,10-11H2,1H3,(H,19,25)(H,20,23)(H,21,24)