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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-benzyl-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-benzyl-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-benzyl-4-ethyl-1,2,4-triazole-3-thione Formula: C29H34N5S+ MolecularWeight: 484.67876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N5S/c1-2-33-27(22-24-12-6-3-7-13-24)30-34(29(33)35)23-31-18-20-32(21-19-31)28(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,28H,2,18-23H2,1H3/p+1