3-ethynyl-N-[(4-methylsulfanylphenyl)methyl]aniline

Systemtic Name: 3-ethynyl-N-[(4-methylsulfanylphenyl)methyl]aniline Openeye Name: 3-ethynyl-N-[(4-methylsulfanylphenyl)methyl]aniline CAS Name: 3-ethynyl-N-[[4-(methylthio)phenyl]methyl]aniline IUPAC Name: 3-ethynyl-N-[(4-methylsulfanylphenyl)methyl]aniline Traditional Name: (3-ethynylphenyl)-[4-(methylthio)benzyl]amine Formula: C16H15NS MolecularWeight: 253.362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=CC=CC(=C2)C#C

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=CC=CC(=C2)C#C

InChI

InChI=1S/C16H15NS/c1-3-13-5-4-6-15(11-13)17-12-14-7-9-16(18-2)10-8-14/h1,4-11,17H,12H2,2H3