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

Systemtic Name: N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-(ethylthio)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-(ethylthio)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(O1)CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCSC1=NN=C(O1)CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N4O4S/c1-3-22-13-16-15-11(21-13)7-14-12(18)9-5-4-6-10(8(9)2)17(19)20/h4-6H,3,7H2,1-2H3,(H,14,18)