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

Systemtic Name: N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-[[4-(methylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-[4-(methylthio)benzyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Formula: C17H13N5O6S MolecularWeight: 415.38002

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O6S/c1-29-14-4-2-10(3-5-14)6-15-19-20-17(28-15)18-16(23)11-7-12(21(24)25)9-13(8-11)22(26)27/h2-5,7-9H,6H2,1H3,(H,18,20,23)