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

Systemtic Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C23H29N5S MolecularWeight: 407.57486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCCC3C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCCC3C4=CN=CC=C4

InChI

InChI=1S/C23H29N5S/c1-23(2,3)19-11-9-17(10-12-19)21-25-28(22(29)26(21)4)16-27-14-6-8-20(27)18-7-5-13-24-15-18/h5,7,9-13,15,20H,6,8,14,16H2,1-4H3