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

Systemtic Name: 2-methyl-3-nitro-N-[[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide Openeye Name: N-[(5-acetonylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[[5-(2-oxopropylthio)-1,3,4-oxadiazol-2-yl]methyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[[5-(2-oxopropylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide Traditional Name: N-[[5-(acetonylthio)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C14H14N4O5S MolecularWeight: 350.34976

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O5S/c1-8(19)7-24-14-17-16-12(23-14)6-15-13(20)10-4-3-5-11(9(10)2)18(21)22/h3-5H,6-7H2,1-2H3,(H,15,20)