N'-(4-methylphenyl)carbonyl-3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzohydrazide

Systemtic Name: N'-(4-methylphenyl)carbonyl-3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzohydrazide Openeye Name: N'-(4-methylbenzoyl)-3-nitro-4-(tetrahydrofuran-2-ylmethylsulfanyl)benzohydrazide CAS Name: N'-[(4-methylphenyl)-oxomethyl]-3-nitro-4-(2-oxolanylmethylthio)benzohydrazide IUPAC Name: N'-(4-methylbenzoyl)-3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzohydrazide Traditional Name: 3-nitro-N'-p-toluoyl-4-(tetrahydrofurfurylthio)benzohydrazide Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)SCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)SCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-13-4-6-14(7-5-13)19(24)21-22-20(25)15-8-9-18(17(11-15)23(26)27)29-12-16-3-2-10-28-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,24)(H,22,25)