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

Systemtic Name: 3-chloranyl-2-[2-(4-nitrophenyl)ethylsulfanyl]aniline Openeye Name: 3-chloro-2-[2-(4-nitrophenyl)ethylsulfanyl]aniline CAS Name: 3-chloro-2-[2-(4-nitrophenyl)ethylthio]aniline IUPAC Name: 3-chloro-2-[2-(4-nitrophenyl)ethylsulfanyl]aniline Traditional Name: [3-chloro-2-[2-(4-nitrophenyl)ethylthio]phenyl]amine Formula: C14H13ClN2O2S MolecularWeight: 308.78322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)SCCC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)SCCC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H13ClN2O2S/c15-12-2-1-3-13(16)14(12)20-9-8-10-4-6-11(7-5-10)17(18)19/h1-7H,8-9,16H2