3-(4-nitrophenyl)-4-(phenylsulfanylmethyl)-1,2-oxazole

Systemtic Name: 3-(4-nitrophenyl)-4-(phenylsulfanylmethyl)-1,2-oxazole Openeye Name: 3-(4-nitrophenyl)-4-(phenylsulfanylmethyl)isoxazole CAS Name: 3-(4-nitrophenyl)-4-[(phenylthio)methyl]isoxazole IUPAC Name: 3-(4-nitrophenyl)-4-(phenylsulfanylmethyl)-1,2-oxazole Traditional Name: 3-(4-nitrophenyl)-4-[(phenylthio)methyl]isoxazole Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CON=C2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CON=C2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O3S/c19-18(20)14-8-6-12(7-9-14)16-13(10-21-17-16)11-22-15-4-2-1-3-5-15/h1-10H,11H2