2-[[4-(2-chloranyl-6-nitro-phenoxy)phenyl]methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(2-chloranyl-6-nitro-phenoxy)phenyl]methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[[4-(2-chloro-6-nitro-phenoxy)phenyl]methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[[4-(2-chloro-6-nitrophenoxy)phenyl]methylthio]-1,3-benzoxazole IUPAC Name: 2-[[4-(2-chloro-6-nitrophenoxy)phenyl]methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[[4-(2-chloro-6-nitro-phenoxy)benzyl]thio]-1,3-benzoxazole Formula: C20H13ClN2O4S MolecularWeight: 412.84622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN2O4S/c21-15-4-3-6-17(23(24)25)19(15)26-14-10-8-13(9-11-14)12-28-20-22-16-5-1-2-7-18(16)27-20/h1-11H,12H2