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

Systemtic Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-(1-piperidylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-(1-piperidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-(piperidinomethyl)-1,2,4-triazole-3-thione Formula: C27H34N4OS MolecularWeight: 462.65006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN(C(=S)N3C4=CC=CC=C4)CN5CCCCC5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN(C(=S)N3C4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C27H34N4OS/c33-27-30(21-29-18-8-3-9-19-29)28-26(31(27)24-12-6-2-7-13-24)20-32-25-16-14-23(15-17-25)22-10-4-1-5-11-22/h2,6-7,12-17,22H,1,3-5,8-11,18-21H2