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

Systemtic Name: 1-(3-methylphenyl)sulfanyl-2,4-dinitro-benzene Openeye Name: 1-(m-tolylsulfanyl)-2,4-dinitro-benzene CAS Name: 1-[(3-methylphenyl)thio]-2,4-dinitrobenzene IUPAC Name: 1-(3-methylphenyl)sulfanyl-2,4-dinitrobenzene Traditional Name: 1-(m-tolylthio)-2,4-dinitro-benzene Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O4S/c1-9-3-2-4-11(7-9)20-13-6-5-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3