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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-11-3-2-4-14(7-11)26-9-16-20-21-18(27-16)28-10-13-6-5-12(17(19)23)8-15(13)22(24)25/h2-8H,9-10H2,1H3,(H2,19,23)