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

Systemtic Name: 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C18H21N4S2+ MolecularWeight: 357.51614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)CC4=CC=CS4

InChI

InChI=1S/C18H20N4S2/c1-20-17(11-16-7-4-10-24-16)19-22(18(20)23)13-21-9-8-14-5-2-3-6-15(14)12-21/h2-7,10H,8-9,11-13H2,1H3/p+1