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

Systemtic Name: N-[[5-(2-diethylaminoethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-(2-diethylaminoethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-(2-diethylaminoethylthio)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-(2-diethylaminoethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-(2-diethylaminoethylthio)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O4S/c1-4-21(5-2)9-10-27-17-20-19-15(26-17)11-18-16(23)13-7-6-8-14(12(13)3)22(24)25/h6-8H,4-5,9-11H2,1-3H3,(H,18,23)