3-(2-methylphenyl)-5-[(4-nitro-2-thiophen-2-yl-phenoxy)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(2-methylphenyl)-5-[(4-nitro-2-thiophen-2-yl-phenoxy)methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-nitro-2-(2-thienyl)phenoxy]methyl]-3-(o-tolyl)-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-[(4-nitro-2-thiophen-2-ylphenoxy)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-[(4-nitro-2-thiophen-2-ylphenoxy)methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-nitro-2-(2-thienyl)phenoxy]methyl]-3-(o-tolyl)-1,2,4-oxadiazole Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H15N3O4S/c1-13-5-2-3-6-15(13)20-21-19(27-22-20)12-26-17-9-8-14(23(24)25)11-16(17)18-7-4-10-28-18/h2-11H,12H2,1H3