4-[(3,5-dimethylphenyl)methylsulfanyl]-3-fluoranyl-aniline

Systemtic Name: 4-[(3,5-dimethylphenyl)methylsulfanyl]-3-fluoranyl-aniline Openeye Name: 4-[(3,5-dimethylphenyl)methylsulfanyl]-3-fluoro-aniline CAS Name: 4-[(3,5-dimethylphenyl)methylthio]-3-fluoroaniline IUPAC Name: 4-[(3,5-dimethylphenyl)methylsulfanyl]-3-fluoroaniline Traditional Name: [4-[(3,5-dimethylbenzyl)thio]-3-fluoro-phenyl]amine Formula: C15H16FNS MolecularWeight: 261.357643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=C(C=C(C=C2)N)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=C(C=C(C=C2)N)F)C

InChI

InChI=1S/C15H16FNS/c1-10-5-11(2)7-12(6-10)9-18-15-4-3-13(17)8-14(15)16/h3-8H,9,17H2,1-2H3