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

Systemtic Name: 5-(4-chlorophenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-methyl-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H22ClN4S+ MolecularWeight: 385.93348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4S/c1-23-19(16-9-11-17(21)12-10-16)22-25(20(23)26)14-24-13-5-8-18(24)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3/p+1/t18-/m0/s1