2-(4-methylphenyl)sulfanyl-2-nitro-3-phenethyl-oxirane

Systemtic Name: 2-(4-methylphenyl)sulfanyl-2-nitro-3-phenethyl-oxirane Openeye Name: 2-nitro-3-phenethyl-2-(p-tolylsulfanyl)oxirane CAS Name: 2-[(4-methylphenyl)thio]-2-nitro-3-phenethyloxirane IUPAC Name: 2-(4-methylphenyl)sulfanyl-2-nitro-3-phenethyloxirane Traditional Name: 2-nitro-3-phenethyl-2-(p-tolylthio)oxirane Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(C(O2)CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2(C(O2)CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO3S/c1-13-7-10-15(11-8-13)22-17(18(19)20)16(21-17)12-9-14-5-3-2-4-6-14/h2-8,10-11,16H,9,12H2,1H3