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

Systemtic Name: N-[3-[2-[2-(4-methylphenyl)sulfanylethanoyl]hydrazinyl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[3-oxo-3-[2-[2-(p-tolylsulfanyl)acetyl]hydrazino]propyl]benzamide CAS Name: N-[3-[[2-[(4-methylphenyl)thio]-1-oxoethyl]hydrazo]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[N'-[2-(p-tolylthio)acetyl]hydrazino]propyl]-4-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5S/c1-13-2-8-16(9-3-13)29-12-18(25)22-21-17(24)10-11-20-19(26)14-4-6-15(7-5-14)23(27)28/h2-9H,10-12H2,1H3,(H,20,26)(H,21,24)(H,22,25)