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

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-(phenylmethyl)-4-propyl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-benzyl-4-propyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5-(phenylmethyl)-4-propyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-benzyl-4-propyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-benzyl-4-propyl-1,2,4-triazole-3-thione Formula: C30H36N5S+ MolecularWeight: 498.70534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35N5S/c1-2-18-34-28(23-25-12-6-3-7-13-25)31-35(30(34)36)24-32-19-21-33(22-20-32)29(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,29H,2,18-24H2,1H3/p+1