4-ethyl-5-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-5-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-(2-furyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(2-furanyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-(furan-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(2-furyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CC=CO4

InChI

InChI=1S/C18H20N4OS/c1-2-21-17(16-8-5-11-23-16)19-22(18(21)24)13-20-10-9-14-6-3-4-7-15(14)12-20/h3-8,11H,2,9-10,12-13H2,1H3/p+1