1-[1-(4-methylphenyl)sulfanyl-2-nitro-ethyl]-3-nitro-benzene

Systemtic Name: 1-[1-(4-methylphenyl)sulfanyl-2-nitro-ethyl]-3-nitro-benzene Openeye Name: 1-nitro-3-[2-nitro-1-(p-tolylsulfanyl)ethyl]benzene CAS Name: 1-[1-[(4-methylphenyl)thio]-2-nitroethyl]-3-nitrobenzene IUPAC Name: 1-[1-(4-methylphenyl)sulfanyl-2-nitroethyl]-3-nitrobenzene Traditional Name: 1-nitro-3-[2-nitro-1-(p-tolylthio)ethyl]benzene Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4S/c1-11-5-7-14(8-6-11)22-15(10-16(18)19)12-3-2-4-13(9-12)17(20)21/h2-9,15H,10H2,1H3