1-[(4-methylphenyl)methylsulfanyl]-2,4-dinitro-benzene

Systemtic Name: 1-[(4-methylphenyl)methylsulfanyl]-2,4-dinitro-benzene Openeye Name: 2,4-dinitro-1-(p-tolylmethylsulfanyl)benzene CAS Name: 1-[(4-methylphenyl)methylthio]-2,4-dinitrobenzene IUPAC Name: 1-[(4-methylphenyl)methylsulfanyl]-2,4-dinitrobenzene Traditional Name: 1-[(4-methylbenzyl)thio]-2,4-dinitro-benzene Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4S/c1-10-2-4-11(5-3-10)9-21-14-7-6-12(15(17)18)8-13(14)16(19)20/h2-8H,9H2,1H3