5-indol-3-ylidene-4-[[(2S)-oxolan-2-yl]methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazolidine-3-thione

Systemtic Name: 5-indol-3-ylidene-4-[[(2S)-oxolan-2-yl]methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazolidine-3-thione Openeye Name: 5-indol-3-ylidene-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazolidine-3-thione CAS Name: 5-(3-indolylidene)-4-[[(2S)-2-oxolanyl]methyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazolidine-3-thione IUPAC Name: 5-indol-3-ylidene-4-[[(2S)-oxolan-2-yl]methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazolidine-3-thione Traditional Name: 5-indol-3-ylidene-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazolidine-3-thione Formula: C24H29N8OS+ MolecularWeight: 477.60506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=C3C=NC4=CC=CC=C43)NN(C2=S)C[NH+]5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

C1C[C@H](OC1)CN2C(=C3C=NC4=CC=CC=C43)NN(C2=S)C[NH+]5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C24H28N8OS/c34-24-31(16-18-5-3-14-33-18)22(20-15-27-21-7-2-1-6-19(20)21)28-32(24)17-29-10-12-30(13-11-29)23-25-8-4-9-26-23/h1-2,4,6-9,15,18,28H,3,5,10-14,16-17H2/p+1/t18-/m0/s1