2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(4-nitrophenyl)ethanone Formula: C15H10N2O4S MolecularWeight: 314.3159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O4S/c18-13(10-5-7-11(8-6-10)17(19)20)9-22-15-16-12-3-1-2-4-14(12)21-15/h1-8H,9H2