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

Systemtic Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-[(4-phenyl-1-piperidyl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperidino)methyl]-1,2,4-triazole-3-thione Formula: C33H38N4OS MolecularWeight: 538.74602

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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)CN5CCC(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN(C(=S)N3C4=CC=CC=C4)CN5CCC(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H38N4OS/c39-33-36(25-35-22-20-29(21-23-35)27-12-6-2-7-13-27)34-32(37(33)30-14-8-3-9-15-30)24-38-31-18-16-28(17-19-31)26-10-4-1-5-11-26/h2-3,6-9,12-19,26,29H,1,4-5,10-11,20-25H2