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

Systemtic Name: 4-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[[(5-o-phenetyl-1,3,4-oxadiazol-2-yl)thio]methyl]benzamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN=C(O2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN=C(O2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-2-26-15-6-4-3-5-13(15)17-20-21-18(27-17)28-10-12-8-7-11(16(19)23)9-14(12)22(24)25/h3-9H,2,10H2,1H3,(H2,19,23)