3-chloranyl-2-[(4-nitrophenyl)methylsulfanyl]aniline

Systemtic Name: 3-chloranyl-2-[(4-nitrophenyl)methylsulfanyl]aniline Openeye Name: 3-chloro-2-[(4-nitrophenyl)methylsulfanyl]aniline CAS Name: 3-chloro-2-[(4-nitrophenyl)methylthio]aniline IUPAC Name: 3-chloro-2-[(4-nitrophenyl)methylsulfanyl]aniline Traditional Name: [3-chloro-2-[(4-nitrobenzyl)thio]phenyl]amine Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O2S/c14-11-2-1-3-12(15)13(11)19-8-9-4-6-10(7-5-9)16(17)18/h1-7H,8,15H2