2-[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1,3-dithiolane

Systemtic Name: 2-[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1,3-dithiolane Openeye Name: 2-[5-nitro-2-(p-tolylsulfanyl)phenyl]-1,3-dithiolane CAS Name: 2-[2-[(4-methylphenyl)thio]-5-nitrophenyl]-1,3-dithiolane IUPAC Name: 2-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1,3-dithiolane Traditional Name: 2-[5-nitro-2-(p-tolylthio)phenyl]-1,3-dithiolane Formula: C16H15NO2S3 MolecularWeight: 349.4908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C3SCCS3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C3SCCS3

InChI

InChI=1S/C16H15NO2S3/c1-11-2-5-13(6-3-11)22-15-7-4-12(17(18)19)10-14(15)16-20-8-9-21-16/h2-7,10,16H,8-9H2,1H3