2-[(2,4-dinitrophenyl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[(2,4-dinitrophenyl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[(2,4-dinitrophenyl)methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[(2,4-dinitrophenyl)methylthio]-1,3-benzoxazole IUPAC Name: 2-[(2,4-dinitrophenyl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[(2,4-dinitrobenzyl)thio]-1,3-benzoxazole Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O5S/c18-16(19)10-6-5-9(12(7-10)17(20)21)8-23-14-15-11-3-1-2-4-13(11)22-14/h1-7H,8H2