2-chloranyl-1-[4-nitro-3-(phenylmethylsulfanyl)phenoxy]-4-(trifluoromethyl)benzene

Systemtic Name: 2-chloranyl-1-[4-nitro-3-(phenylmethylsulfanyl)phenoxy]-4-(trifluoromethyl)benzene Openeye Name: 1-(3-benzylsulfanyl-4-nitro-phenoxy)-2-chloro-4-(trifluoromethyl)benzene CAS Name: 2-chloro-1-[4-nitro-3-(phenylmethylthio)phenoxy]-4-(trifluoromethyl)benzene IUPAC Name: 1-(3-benzylsulfanyl-4-nitrophenoxy)-2-chloro-4-(trifluoromethyl)benzene Traditional Name: 1-[3-(benzylthio)-4-nitro-phenoxy]-2-chloro-4-(trifluoromethyl)benzene Formula: C20H13ClF3NO3S MolecularWeight: 439.83533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClF3NO3S/c21-16-10-14(20(22,23)24)6-9-18(16)28-15-7-8-17(25(26)27)19(11-15)29-12-13-4-2-1-3-5-13/h1-11H,12H2