4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C12H12N4O4S2 MolecularWeight: 340.37808

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NN=C(O1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CSCC1=NN=C(O1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S2/c1-21-6-10-14-15-12(20-10)22-5-8-3-2-7(11(13)17)4-9(8)16(18)19/h2-4H,5-6H2,1H3,(H2,13,17)