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

Systemtic Name: N-[(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-(butylthio)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-(butylthio)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(O1)CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCSC1=NN=C(O1)CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H18N4O4S/c1-3-4-8-24-15-18-17-13(23-15)9-16-14(20)11-6-5-7-12(10(11)2)19(21)22/h5-7H,3-4,8-9H2,1-2H3,(H,16,20)