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

Systemtic Name: 2-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-3-nitro-benzamide Openeye Name: 2-methyl-3-nitro-N-[[5-(o-tolylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide CAS Name: 2-methyl-N-[[5-[(2-methylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[[5-[(2-methylbenzyl)thio]-1,3,4-oxadiazol-2-yl]methyl]-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(O2)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(O2)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N4O4S/c1-12-6-3-4-7-14(12)11-28-19-22-21-17(27-19)10-20-18(24)15-8-5-9-16(13(15)2)23(25)26/h3-9H,10-11H2,1-2H3,(H,20,24)