5-methyl-2-[(3-nitrophenyl)methylsulfanyl]aniline

Systemtic Name: 5-methyl-2-[(3-nitrophenyl)methylsulfanyl]aniline Openeye Name: 5-methyl-2-[(3-nitrophenyl)methylsulfanyl]aniline CAS Name: 5-methyl-2-[(3-nitrophenyl)methylthio]aniline IUPAC Name: 5-methyl-2-[(3-nitrophenyl)methylsulfanyl]aniline Traditional Name: [5-methyl-2-[(3-nitrobenzyl)thio]phenyl]amine Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC(=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H14N2O2S/c1-10-5-6-14(13(15)7-10)19-9-11-3-2-4-12(8-11)16(17)18/h2-8H,9,15H2,1H3