5-[(4-tert-butylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-tert-butylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(4-tert-butylphenoxy)methyl]-4-phenyl-2-(1-piperidylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(4-tert-butylphenoxy)methyl]-4-phenyl-2-(1-piperidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(4-tert-butylphenoxy)methyl]-4-phenyl-2-(piperidinomethyl)-1,2,4-triazole-3-thione Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C25H32N4OS/c1-25(2,3)20-12-14-22(15-13-20)30-18-23-26-28(19-27-16-8-5-9-17-27)24(31)29(23)21-10-6-4-7-11-21/h4,6-7,10-15H,5,8-9,16-19H2,1-3H3