[4-fluoranyl-3-(2-methylpropylsulfanylmethyl)phenyl]methanamine

Systemtic Name: [4-fluoranyl-3-(2-methylpropylsulfanylmethyl)phenyl]methanamine Openeye Name: [4-fluoro-3-(isobutylsulfanylmethyl)phenyl]methanamine CAS Name: [4-fluoro-3-[(2-methylpropylthio)methyl]phenyl]methanamine IUPAC Name: [4-fluoro-3-(2-methylpropylsulfanylmethyl)phenyl]methanamine Traditional Name: [4-fluoro-3-[(isobutylthio)methyl]benzyl]amine Formula: C12H18FNS MolecularWeight: 227.341423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC1=C(C=CC(=C1)CN)F

Isomeric SMILES

CC(C)CSCC1=C(C=CC(=C1)CN)F

InChI

InChI=1S/C12H18FNS/c1-9(2)7-15-8-11-5-10(6-14)3-4-12(11)13/h3-5,9H,6-8,14H2,1-2H3