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

Systemtic Name: 2-methyl-1-(3-methylphenyl)sulfanyl-3,5-dinitro-benzene Openeye Name: 2-methyl-1-(m-tolylsulfanyl)-3,5-dinitro-benzene CAS Name: 2-methyl-1-[(3-methylphenyl)thio]-3,5-dinitrobenzene IUPAC Name: 2-methyl-1-(3-methylphenyl)sulfanyl-3,5-dinitrobenzene Traditional Name: 2-methyl-1-(m-tolylthio)-3,5-dinitro-benzene Formula: C14H12N2O4S MolecularWeight: 304.32108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=CC(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)SC2=CC(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4S/c1-9-4-3-5-12(6-9)21-14-8-11(15(17)18)7-13(10(14)2)16(19)20/h3-8H,1-2H3