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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C21H26N5S+ MolecularWeight: 380.52964

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5S/c1-23-16-22-26(21(23)27)17-24-12-14-25(15-13-24)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,20H,12-15,17H2,1H3/p+1