4-phenyl-5-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-phenyl-5-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-phenyl-5-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-phenyl-5-(3-pyridinyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-phenyl-5-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-phenyl-5-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C23H22N5S+ MolecularWeight: 400.51928

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5S/c29-23-27(17-26-14-12-18-7-4-5-8-20(18)16-26)25-22(19-9-6-13-24-15-19)28(23)21-10-2-1-3-11-21/h1-11,13,15H,12,14,16-17H2/p+1