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

Systemtic Name: 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C28H37N4OS+ MolecularWeight: 477.68458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)C4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)C4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H36N4OS/c1-22-16-18-30(19-17-22)21-31-28(34)32(25-10-6-3-7-11-25)27(29-31)20-33-26-14-12-24(13-15-26)23-8-4-2-5-9-23/h3,6-7,10-15,22-23H,2,4-5,8-9,16-21H2,1H3/p+1