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

Systemtic Name: 1-nitro-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)benzene Openeye Name: 2-benzylsulfanyl-1-nitro-4-(trifluoromethyl)benzene CAS Name: 1-nitro-2-(phenylmethylthio)-4-(trifluoromethyl)benzene IUPAC Name: 2-benzylsulfanyl-1-nitro-4-(trifluoromethyl)benzene Traditional Name: 2-(benzylthio)-1-nitro-4-(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=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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