2-(2-octylsulfanylethylsulfanylmethyl)-2,3-dihydro-1H-perimidine

Systemtic Name: 2-(2-octylsulfanylethylsulfanylmethyl)-2,3-dihydro-1H-perimidine Openeye Name: 2-(2-octylsulfanylethylsulfanylmethyl)-2,3-dihydro-1H-perimidine CAS Name: 2-[[2-(octylthio)ethylthio]methyl]-2,3-dihydro-1H-perimidine IUPAC Name: 2-(2-octylsulfanylethylsulfanylmethyl)-2,3-dihydro-1H-perimidine Traditional Name: 2-[[2-(octylthio)ethylthio]methyl]-2,3-dihydro-1H-perimidine Formula: C22H32N2S2 MolecularWeight: 388.63288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCSCC1NC2=CC=CC3=C2C(=CC=C3)N1

Isomeric SMILES

CCCCCCCCSCCSCC1NC2=CC=CC3=C2C(=CC=C3)N1

InChI

InChI=1S/C22H32N2S2/c1-2-3-4-5-6-7-14-25-15-16-26-17-21-23-19-12-8-10-18-11-9-13-20(24-21)22(18)19/h8-13,21,23-24H,2-7,14-17H2,1H3