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

Systemtic Name: 5-(4-methoxyphenyl)-4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-4-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-triazole-3-thione Formula: C25H25N4OS+ MolecularWeight: 429.5572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H24N4OS/c1-30-23-13-11-20(12-14-23)24-26-28(25(31)29(24)22-9-3-2-4-10-22)18-27-16-15-19-7-5-6-8-21(19)17-27/h2-14H,15-18H2,1H3/p+1