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

Systemtic Name: 2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 5-isopropyl-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 2-[[(2S)-2-phenyl-1-pyrrolidinyl]methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 5-isopropyl-2-[[(2S)-2-phenylpyrrolidino]methyl]-1H-1,2,4-triazole-3-thione Formula: C16H22N4S MolecularWeight: 302.43768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=S)N(N1)CN2CCCC2C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=S)N(N1)CN2CCC[C@H]2C3=CC=CC=C3

InChI

InChI=1S/C16H22N4S/c1-12(2)15-17-16(21)20(18-15)11-19-10-6-9-14(19)13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,17,18,21)/t14-/m0/s1