3-chloranyl-4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]aniline

Systemtic Name: 3-chloranyl-4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]aniline Openeye Name: 3-chloro-4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]aniline CAS Name: 3-chloro-4-[(2-methoxy-5-nitrophenyl)methylthio]aniline IUPAC Name: 3-chloro-4-[(2-methoxy-5-nitrophenyl)methylsulfanyl]aniline Traditional Name: [3-chloro-4-[(2-methoxy-5-nitro-benzyl)thio]phenyl]amine Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-20-13-4-3-11(17(18)19)6-9(13)8-21-14-5-2-10(16)7-12(14)15/h2-7H,8,16H2,1H3