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

Systemtic Name: 5-(3-methoxyphenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(3-methoxyphenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(3-methoxyphenyl)-4-methyl-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(3-methoxyphenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(3-methoxyphenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=CC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@H]2C3=CC=CC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H24N4OS/c1-23-20(17-10-6-11-18(14-17)26-2)22-25(21(23)27)15-24-13-7-12-19(24)16-8-4-3-5-9-16/h3-6,8-11,14,19H,7,12-13,15H2,1-2H3/p+1/t19-/m0/s1