4-phenyl-5-(4-phenylmethoxyphenyl)-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-phenyl-5-(4-phenylmethoxyphenyl)-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-benzyloxyphenyl)-4-phenyl-2-(1-piperidylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-phenyl-5-(4-phenylmethoxyphenyl)-2-(1-piperidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-phenyl-5-(4-phenylmethoxyphenyl)-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-benzoxyphenyl)-4-phenyl-2-(piperidinomethyl)-1,2,4-triazole-3-thione Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4OS/c33-27-30(21-29-18-8-3-9-19-29)28-26(31(27)24-12-6-2-7-13-24)23-14-16-25(17-15-23)32-20-22-10-4-1-5-11-22/h1-2,4-7,10-17H,3,8-9,18-21H2