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

Systemtic Name: 2-methyl-3-nitro-N-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazol-2-yl]methyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[[5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazol-2-yl]methyl]benzamide Formula: C18H15N5O6S MolecularWeight: 429.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6S/c1-11-14(3-2-4-15(11)23(27)28)17(24)19-9-16-20-21-18(29-16)30-10-12-5-7-13(8-6-12)22(25)26/h2-8H,9-10H2,1H3,(H,19,24)