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

Systemtic Name: 2-chloranyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[5-[3-(methylthio)phenyl]-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[5-[3-(methylthio)phenyl]-1,3,4-oxadiazol-2-yl]-5-nitro-benzamide Formula: C16H11ClN4O4S MolecularWeight: 390.80094

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN4O4S/c1-26-11-4-2-3-9(7-11)15-19-20-16(25-15)18-14(22)12-8-10(21(23)24)5-6-13(12)17/h2-8H,1H3,(H,18,20,22)