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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C27H30N5S+ MolecularWeight: 456.6256

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5S/c1-29-26(24-15-9-4-10-16-24)28-32(27(29)33)21-30-17-19-31(20-18-30)25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,25H,17-21H2,1H3/p+1