5-[(E)-2-phenylethenyl]-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-[(E)-2-phenylethenyl]-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-[(E)-styryl]-1H-1,2,4-triazole-3-thione CAS Name: 5-[(E)-2-phenylethenyl]-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-[(E)-2-phenylethenyl]-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-[(E)-styryl]-1H-1,2,4-triazole-3-thione Formula: C21H23N4S+ MolecularWeight: 363.49912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=S)N=C(N2)C=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CN2C(=S)N=C(N2)/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4S/c26-21-22-20(14-13-17-8-3-1-4-9-17)23-25(21)16-24-15-7-12-19(24)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,22,23,26)/p+1/b14-13+/t19-/m0/s1