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

Systemtic Name: 5-chloranyl-6-nitro-2-(phenylsulfanylmethyl)-1,3-benzoxazole Openeye Name: 5-chloro-6-nitro-2-(phenylsulfanylmethyl)-1,3-benzoxazole CAS Name: 5-chloro-6-nitro-2-[(phenylthio)methyl]-1,3-benzoxazole IUPAC Name: 5-chloro-6-nitro-2-(phenylsulfanylmethyl)-1,3-benzoxazole Traditional Name: 5-chloro-6-nitro-2-[(phenylthio)methyl]-1,3-benzoxazole Formula: C14H9ClN2O3S MolecularWeight: 320.75086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=NC3=CC(=C(C=C3O2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)SCC2=NC3=CC(=C(C=C3O2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H9ClN2O3S/c15-10-6-11-13(7-12(10)17(18)19)20-14(16-11)8-21-9-4-2-1-3-5-9/h1-7H,8H2