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

Systemtic Name: 2-methyl-3-nitro-N-[[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[5-[2-(1-pyrrolidinyl)ethylthio]-1,3,4-oxadiazol-2-yl]methyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[[5-(2-pyrrolidinoethylthio)-1,3,4-oxadiazol-2-yl]methyl]benzamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCCN3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCCN3CCCC3

InChI

InChI=1S/C17H21N5O4S/c1-12-13(5-4-6-14(12)22(24)25)16(23)18-11-15-19-20-17(26-15)27-10-9-21-7-2-3-8-21/h4-6H,2-3,7-11H2,1H3,(H,18,23)