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

Systemtic Name: 5-indol-3-ylidene-4-[[(2S)-oxolan-2-yl]methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazolidine-3-thione Openeye Name: 5-indol-3-ylidene-2-(pyrrolidin-1-ium-1-ylmethyl)-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazolidine-3-thione CAS Name: 5-(3-indolylidene)-4-[[(2S)-2-oxolanyl]methyl]-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazolidine-3-thione IUPAC Name: 5-indol-3-ylidene-4-[[(2S)-oxolan-2-yl]methyl]-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazolidine-3-thione Traditional Name: 5-indol-3-ylidene-2-(pyrrolidin-1-ium-1-ylmethyl)-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazolidine-3-thione Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N(C(=C3C=NC4=CC=CC=C43)N2)CC5CCCO5

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=C3C=NC4=CC=CC=C43)N2)C[C@@H]5CCCO5

InChI

InChI=1S/C20H25N5OS/c27-20-24(13-15-6-5-11-26-15)19(22-25(20)14-23-9-3-4-10-23)17-12-21-18-8-2-1-7-16(17)18/h1-2,7-8,12,15,22H,3-6,9-11,13-14H2/p+1/t15-/m0/s1