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

Systemtic Name: 4-phenyl-5-(phenylmethyl)-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-phenyl-5-(phenylmethyl)-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-phenyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C27H29N4S+ MolecularWeight: 441.61096

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4S/c32-27-30(21-29-18-16-24(17-19-29)23-12-6-2-7-13-23)28-26(20-22-10-4-1-5-11-22)31(27)25-14-8-3-9-15-25/h1-15,24H,16-21H2/p+1