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

Systemtic Name: 5-methyl-4-(phenylmethyl)-2-[[4-(quinolin-8-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-methyl-2-[[4-(8-quinolylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(phenylmethyl)-2-[[4-(8-quinolinylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-methyl-2-[[4-(quinolin-8-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-methyl-2-[[4-(8-quinolylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C25H29N6S+ MolecularWeight: 445.60296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+]3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+]3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H28N6S/c1-20-27-31(25(32)30(20)17-21-7-3-2-4-8-21)19-29-15-13-28(14-16-29)18-23-10-5-9-22-11-6-12-26-24(22)23/h2-12H,13-19H2,1H3/p+1