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

Systemtic Name: N-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-[(2,5-dimethylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-[(2,5-dimethylbenzyl)thio]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O4S/c1-12-7-8-13(2)15(9-12)11-29-20-23-22-18(28-20)10-21-19(25)16-5-4-6-17(14(16)3)24(26)27/h4-9H,10-11H2,1-3H3,(H,21,25)