N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4-pentyl-aniline

Systemtic Name: N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4-pentyl-aniline Openeye Name: N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-4-pentyl-aniline CAS Name: N-[[5-[(methylthio)methyl]-2-furanyl]methyl]-4-pentylaniline IUPAC Name: N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4-pentylaniline Traditional Name: (4-amylphenyl)-[[5-[(methylthio)methyl]-2-furyl]methyl]amine Formula: C18H25NOS MolecularWeight: 303.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NCC2=CC=C(O2)CSC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NCC2=CC=C(O2)CSC

InChI

InChI=1S/C18H25NOS/c1-3-4-5-6-15-7-9-16(10-8-15)19-13-17-11-12-18(20-17)14-21-2/h7-12,19H,3-6,13-14H2,1-2H3