N-[(2-chloranyl-5-nitro-phenyl)methyl]-4-methylsulfanyl-aniline

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-4-methylsulfanyl-aniline Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-4-methylsulfanyl-aniline CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-4-(methylthio)aniline IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-4-methylsulfanylaniline Traditional Name: (2-chloro-5-nitro-benzyl)-[4-(methylthio)phenyl]amine Formula: C14H13ClN2O2S MolecularWeight: 308.78322

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC=C(C=C1)NCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13ClN2O2S/c1-20-13-5-2-11(3-6-13)16-9-10-8-12(17(18)19)4-7-14(10)15/h2-8,16H,9H2,1H3