2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-indol-3-ylidene-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazolidine-3-thione

Systemtic Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-indol-3-ylidene-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazolidine-3-thione Openeye Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-indol-3-ylidene-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazolidine-3-thione CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-(3-indolylidene)-4-[[(2R)-2-oxolanyl]methyl]-1,2,4-triazolidine-3-thione IUPAC Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-indol-3-ylidene-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazolidine-3-thione Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-indol-3-ylidene-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazolidine-3-thione Formula: C22H31N6OS+ MolecularWeight: 427.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=C3C=NC4=CC=CC=C43)N2)CC5CCCO5

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=C3C=NC4=CC=CC=C43)N2)C[C@H]5CCCO5

InChI

InChI=1S/C22H30N6OS/c1-2-25-9-11-26(12-10-25)16-28-22(30)27(15-17-6-5-13-29-17)21(24-28)19-14-23-20-8-4-3-7-18(19)20/h3-4,7-8,14,17,24H,2,5-6,9-13,15-16H2,1H3/p+1/t17-/m1/s1