5-phenyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-phenyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C20H21N4S+ MolecularWeight: 349.47254

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4S/c25-20-21-19(18-9-5-2-6-10-18)22-24(20)15-23-13-11-17(12-14-23)16-7-3-1-4-8-16/h1-11H,12-15H2,(H,21,22,25)/p+1