4-nitro-1-(phenylmethylsulfanyl)-2-(trifluoromethyl)benzene

Systemtic Name: 4-nitro-1-(phenylmethylsulfanyl)-2-(trifluoromethyl)benzene Openeye Name: 1-benzylsulfanyl-4-nitro-2-(trifluoromethyl)benzene CAS Name: 4-nitro-1-(phenylmethylthio)-2-(trifluoromethyl)benzene IUPAC Name: 1-benzylsulfanyl-4-nitro-2-(trifluoromethyl)benzene Traditional Name: 1-(benzylthio)-4-nitro-2-(trifluoromethyl)benzene Formula: C14H10F3NO2S MolecularWeight: 313.29491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10F3NO2S/c15-14(16,17)12-8-11(18(19)20)6-7-13(12)21-9-10-4-2-1-3-5-10/h1-8H,9H2