1,2,3-tris[(4-methylphenyl)sulfanyl]-5-nitro-benzene

Systemtic Name: 1,2,3-tris[(4-methylphenyl)sulfanyl]-5-nitro-benzene Openeye Name: 5-nitro-1,2,3-tris(p-tolylsulfanyl)benzene CAS Name: 1,2,3-tris[(4-methylphenyl)thio]-5-nitrobenzene IUPAC Name: 1,2,3-tris[(4-methylphenyl)sulfanyl]-5-nitrobenzene Traditional Name: 5-nitro-1,2,3-tris(p-tolylthio)benzene Formula: C27H23NO2S3 MolecularWeight: 489.67202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C27H23NO2S3/c1-18-4-10-22(11-5-18)31-25-16-21(28(29)30)17-26(32-23-12-6-19(2)7-13-23)27(25)33-24-14-8-20(3)9-15-24/h4-17H,1-3H3