4-phenethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-phenethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-phenethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-phenethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-phenethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-phenethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C25H27N4S2+ MolecularWeight: 447.63868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)N(C(=N3)CC4=CC=CS4)CCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)N(C(=N3)CC4=CC=CS4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H26N4S2/c30-25-28(15-12-20-7-2-1-3-8-20)24(17-23-11-6-16-31-23)26-29(25)19-27-14-13-21-9-4-5-10-22(21)18-27/h1-11,16H,12-15,17-19H2/p+1