5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(4-methoxyphenoxy)methyl]-4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)COC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)COC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H27N5O2S/c1-24-21(16-29-20-10-8-19(28-2)9-11-20)23-27(22(24)30)17-25-12-14-26(15-13-25)18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3/p+1