6-nitro-2-(phenylsulfanylmethyl)-1,3-benzoxazole

Systemtic Name: 6-nitro-2-(phenylsulfanylmethyl)-1,3-benzoxazole Openeye Name: 6-nitro-2-(phenylsulfanylmethyl)-1,3-benzoxazole CAS Name: 6-nitro-2-[(phenylthio)methyl]-1,3-benzoxazole IUPAC Name: 6-nitro-2-(phenylsulfanylmethyl)-1,3-benzoxazole Traditional Name: 6-nitro-2-[(phenylthio)methyl]-1,3-benzoxazole Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O3S/c17-16(18)10-6-7-12-13(8-10)19-14(15-12)9-20-11-4-2-1-3-5-11/h1-8H,9H2