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

Systemtic Name: N-[[5-(cyanomethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-(cyanomethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-(cyanomethylthio)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-(cyanomethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-(cyanomethylthio)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C13H11N5O4S MolecularWeight: 333.32254

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O4S/c1-8-9(3-2-4-10(8)18(20)21)12(19)15-7-11-16-17-13(22-11)23-6-5-14/h2-4H,6-7H2,1H3,(H,15,19)