2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[(2R)-2-p-phenetylpyrrolidino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCCN2CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C

InChI

InChI=1S/C23H27N5OS/c1-3-14-27-22(19-7-5-13-24-16-19)25-28(23(27)30)17-26-15-6-8-21(26)18-9-11-20(12-10-18)29-4-2/h3,5,7,9-13,16,21H,1,4,6,8,14-15,17H2,2H3/t21-/m1/s1