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

Systemtic Name: 2-methyl-N-[[5-(3-methylbutylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-[(5-isopentylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-N-[[5-(3-methylbutylthio)-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[[5-(3-methylbutylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[5-(isoamylthio)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCCC(C)C

InChI

InChI=1S/C16H20N4O4S/c1-10(2)7-8-25-16-19-18-14(24-16)9-17-15(21)12-5-4-6-13(11(12)3)20(22)23/h4-6,10H,7-9H2,1-3H3,(H,17,21)