6-nitro-2-[2-(phenylmethylsulfanyl)ethyl]-1,3-benzoxazole

Systemtic Name: 6-nitro-2-[2-(phenylmethylsulfanyl)ethyl]-1,3-benzoxazole Openeye Name: 2-(2-benzylsulfanylethyl)-6-nitro-1,3-benzoxazole CAS Name: 6-nitro-2-[2-(phenylmethylthio)ethyl]-1,3-benzoxazole IUPAC Name: 2-(2-benzylsulfanylethyl)-6-nitro-1,3-benzoxazole Traditional Name: 2-[2-(benzylthio)ethyl]-6-nitro-1,3-benzoxazole Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCC2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c19-18(20)13-6-7-14-15(10-13)21-16(17-14)8-9-22-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2