[4-[(4-tert-butylphenyl)sulfanylmethyl]-3-fluoranyl-phenyl]methanamine

Systemtic Name: [4-[(4-tert-butylphenyl)sulfanylmethyl]-3-fluoranyl-phenyl]methanamine Openeye Name: [4-[(4-tert-butylphenyl)sulfanylmethyl]-3-fluoro-phenyl]methanamine CAS Name: [4-[[(4-tert-butylphenyl)thio]methyl]-3-fluorophenyl]methanamine IUPAC Name: [4-[(4-tert-butylphenyl)sulfanylmethyl]-3-fluorophenyl]methanamine Traditional Name: [4-[[(4-tert-butylphenyl)thio]methyl]-3-fluoro-benzyl]amine Formula: C18H22FNS MolecularWeight: 303.437383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C=C(C=C2)CN)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C=C(C=C2)CN)F

InChI

InChI=1S/C18H22FNS/c1-18(2,3)15-6-8-16(9-7-15)21-12-14-5-4-13(11-20)10-17(14)19/h4-10H,11-12,20H2,1-3H3