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

Systemtic Name: 2-methyl-N-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[[5-(1-naphthylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[5-(1-naphthalenylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[[5-(1-naphthylmethylthio)-1,3,4-oxadiazol-2-yl]methyl]-3-nitro-benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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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=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18N4O4S/c1-14-17(10-5-11-19(14)26(28)29)21(27)23-12-20-24-25-22(30-20)31-13-16-8-4-7-15-6-2-3-9-18(15)16/h2-11H,12-13H2,1H3,(H,23,27)