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

Systemtic Name: 5-(furan-2-yl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CC=CO4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC3=CC=CC=C3C2)C4=CC=CO4

InChI

InChI=1S/C17H18N4OS/c1-19-16(15-7-4-10-22-15)18-21(17(19)23)12-20-9-8-13-5-2-3-6-14(13)11-20/h2-7,10H,8-9,11-12H2,1H3/p+1