4-cyclohexyl-5-(3,4-dimethoxyphenyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclohexyl-5-(3,4-dimethoxyphenyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclohexyl-5-(3,4-dimethoxyphenyl)-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-5-(3,4-dimethoxyphenyl)-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclohexyl-5-(3,4-dimethoxyphenyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclohexyl-5-(3,4-dimethoxyphenyl)-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=S)N2C3CCCCC3)CN4CCCC4C5=CN=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=S)N2C3CCCCC3)CN4CCCC4C5=CN=CC=C5)OC

InChI

InChI=1S/C26H33N5O2S/c1-32-23-13-12-19(16-24(23)33-2)25-28-30(26(34)31(25)21-9-4-3-5-10-21)18-29-15-7-11-22(29)20-8-6-14-27-17-20/h6,8,12-14,16-17,21-22H,3-5,7,9-11,15,18H2,1-2H3