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

Systemtic Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-[(4-chlorobenzyl)thio]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4O4S/c1-11-14(3-2-4-15(11)23(25)26)17(24)20-9-16-21-22-18(27-16)28-10-12-5-7-13(19)8-6-12/h2-8H,9-10H2,1H3,(H,20,24)