5-cyclopropyl-4-(phenylmethyl)-2-[[4-(quinolin-8-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-4-(phenylmethyl)-2-[[4-(quinolin-8-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-cyclopropyl-2-[[4-(8-quinolylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-(phenylmethyl)-2-[[4-(8-quinolinylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-cyclopropyl-2-[[4-(quinolin-8-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-cyclopropyl-2-[[4-(8-quinolylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C27H31N6S+ MolecularWeight: 471.64024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCN(CC4)CC5=CC=CC6=C5N=CC=C6

Isomeric SMILES

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCN(CC4)CC5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C27H30N6S/c34-27-32(18-21-6-2-1-3-7-21)26(23-11-12-23)29-33(27)20-31-16-14-30(15-17-31)19-24-9-4-8-22-10-5-13-28-25(22)24/h1-10,13,23H,11-12,14-20H2/p+1