5-(2-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(2-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methoxyphenyl)-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(2-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)C[NH+]3CCCC3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)C[NH+]3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-3-15-26-22(19-12-7-8-14-21(19)28-2)24-27(23(26)29)17-25-16-9-13-20(25)18-10-5-4-6-11-18/h3-8,10-12,14,20H,1,9,13,15-17H2,2H3/p+1/t20-/m0/s1