2-methyl-3-nitro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide Openeye Name: N-[[5-[(E)-cinnamyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[[5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-oxadiazol-2-yl]methyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide Traditional Name: N-[[5-[[(E)-cinnamyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O4S/c1-14-16(10-5-11-17(14)24(26)27)19(25)21-13-18-22-23-20(28-18)29-12-6-9-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,21,25)/b9-6+