3-(3-nitrophenyl)-5-[2-(phenylmethylsulfanyl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-nitrophenyl)-5-[2-(phenylmethylsulfanyl)phenyl]-1,2,4-oxadiazole Openeye Name: 5-(2-benzylsulfanylphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 3-(3-nitrophenyl)-5-[2-(phenylmethylthio)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-(2-benzylsulfanylphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[2-(benzylthio)phenyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C21H15N3O3S MolecularWeight: 389.4271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2C3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2C3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S/c25-24(26)17-10-6-9-16(13-17)20-22-21(27-23-20)18-11-4-5-12-19(18)28-14-15-7-2-1-3-8-15/h1-13H,14H2