2-methyl-1-(4-methylphenyl)sulfanyl-3,5-dinitro-benzene

Systemtic Name: 2-methyl-1-(4-methylphenyl)sulfanyl-3,5-dinitro-benzene Openeye Name: 2-methyl-1,5-dinitro-3-(p-tolylsulfanyl)benzene CAS Name: 2-methyl-1-[(4-methylphenyl)thio]-3,5-dinitrobenzene IUPAC Name: 2-methyl-1-(4-methylphenyl)sulfanyl-3,5-dinitrobenzene Traditional Name: 2-methyl-1,5-dinitro-3-(p-tolylthio)benzene Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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