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

Systemtic Name: 5-phenyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-phenyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-phenyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C22H25N4S+ MolecularWeight: 377.5257

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCC[C@H]2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4S/c1-2-15-25-21(19-12-7-4-8-13-19)23-26(22(25)27)17-24-16-9-14-20(24)18-10-5-3-6-11-18/h2-8,10-13,20H,1,9,14-17H2/p+1/t20-/m0/s1