5-methyl-1,3-dinitro-2-phenylsulfanyl-benzene

Systemtic Name: 5-methyl-1,3-dinitro-2-phenylsulfanyl-benzene Openeye Name: 5-methyl-1,3-dinitro-2-phenylsulfanyl-benzene CAS Name: 5-methyl-1,3-dinitro-2-(phenylthio)benzene IUPAC Name: 5-methyl-1,3-dinitro-2-phenylsulfanylbenzene Traditional Name: 5-methyl-1,3-dinitro-2-(phenylthio)benzene Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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