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

Systemtic Name: 5-(2-chlorophenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-4-methyl-2-[[(2S)-2-phenyl-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-4-methyl-2-[[(2S)-2-phenylpyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C20H21ClN4S MolecularWeight: 384.92554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCCC2C3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCC[C@H]2C3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

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