4,5-diphenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-diphenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-diphenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-diphenyl-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-diphenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-diphenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C26H27N4S+ MolecularWeight: 427.58438

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4S/c31-26-29(20-28-18-16-22(17-19-28)21-10-4-1-5-11-21)27-25(23-12-6-2-7-13-23)30(26)24-14-8-3-9-15-24/h1-15,22H,16-20H2/p+1