2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C28H32N5OS+ MolecularWeight: 486.65158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H31N5OS/c1-30-27(24-13-15-25(34-2)16-14-24)29-33(28(30)35)21-31-17-19-32(20-18-31)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,26H,17-21H2,1-2H3/p+1