2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-2-26-18-12-10-16(11-13-18)19-9-6-14-24(19)15-25-21(27)22-20(23-25)17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3,(H,22,23,27)/p+1/t19-/m1/s1