3-(phenylmethylsulfanyl)-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine

Systemtic Name: 3-(phenylmethylsulfanyl)-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine Openeye Name: 3-benzylsulfanyl-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine CAS Name: 3-(phenylmethylthio)-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine IUPAC Name: 3-benzylsulfanyl-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine Traditional Name: [3-amino-1-(benzylthio)-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]amine Formula: C14H15F3N2S MolecularWeight: 300.34251

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=CC1(N)SCC2=CC=CC=C2)N)C(F)(F)F

Isomeric SMILES

C1C(=CC(=CC1(N)SCC2=CC=CC=C2)N)C(F)(F)F

InChI

InChI=1S/C14H15F3N2S/c15-14(16,17)11-6-12(18)8-13(19,7-11)20-9-10-4-2-1-3-5-10/h1-6,8H,7,9,18-19H2