2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C22H29N5S+2 MolecularWeight: 395.56416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5S/c1-2-25-17-23-27(22(25)28)18-24-13-15-26(16-14-24)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,21H,2,13-16,18H2,1H3/p+2