[3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-fluoranyl-phenyl]methanamine

Systemtic Name: [3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-fluoranyl-phenyl]methanamine Openeye Name: [3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-fluoro-phenyl]methanamine CAS Name: [3-[[(2,5-dimethylphenyl)thio]methyl]-4-fluorophenyl]methanamine IUPAC Name: [3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-fluorophenyl]methanamine Traditional Name: [3-[[(2,5-dimethylphenyl)thio]methyl]-4-fluoro-benzyl]amine Formula: C16H18FNS MolecularWeight: 275.384223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=C(C=CC(=C2)CN)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=C(C=CC(=C2)CN)F

InChI

InChI=1S/C16H18FNS/c1-11-3-4-12(2)16(7-11)19-10-14-8-13(9-18)5-6-15(14)17/h3-8H,9-10,18H2,1-2H3