2-(3-methylphenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene

Systemtic Name: 2-(3-methylphenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene Openeye Name: 2-(m-tolylsulfanyl)-1,3-dinitro-5-(trifluoromethyl)benzene CAS Name: 2-[(3-methylphenyl)thio]-1,3-dinitro-5-(trifluoromethyl)benzene IUPAC Name: 2-(3-methylphenyl)sulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene Traditional Name: 2-(m-tolylthio)-1,3-dinitro-5-(trifluoromethyl)benzene Formula: C14H9F3N2O4S MolecularWeight: 358.29247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9F3N2O4S/c1-8-3-2-4-10(5-8)24-13-11(18(20)21)6-9(14(15,16)17)7-12(13)19(22)23/h2-7H,1H3