4-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thiolate Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C18H18N4S/c23-18-20-19-17(22(18)16-8-2-1-3-9-16)13-21-11-10-14-6-4-5-7-15(14)12-21/h1-9H,10-13H2,(H,20,23)