2-[3-isocyano-1-(4-methylphenyl)sulfanyl-pentan-3-yl]thiophene

Systemtic Name: 2-[3-isocyano-1-(4-methylphenyl)sulfanyl-pentan-3-yl]thiophene Openeye Name: 2-[1-ethyl-1-isocyano-3-(p-tolylsulfanyl)propyl]thiophene CAS Name: 2-[3-isocyano-1-[(4-methylphenyl)thio]pentan-3-yl]thiophene IUPAC Name: 2-[3-isocyano-1-(4-methylphenyl)sulfanylpentan-3-yl]thiophene Traditional Name: 2-[1-ethyl-1-isocyano-3-(p-tolylthio)propyl]thiophene Formula: C17H19NS2 MolecularWeight: 301.46946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCSC1=CC=C(C=C1)C)(C2=CC=CS2)[N+]#[C-]

Isomeric SMILES

CCC(CCSC1=CC=C(C=C1)C)(C2=CC=CS2)[N+]#[C-]

InChI

InChI=1S/C17H19NS2/c1-4-17(18-3,16-6-5-12-20-16)11-13-19-15-9-7-14(2)8-10-15/h5-10,12H,4,11,13H2,1-2H3