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

Systemtic Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[4-(2-pyridyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C23H30N6S MolecularWeight: 422.5895

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H30N6S/c1-23(2,3)19-10-8-18(9-11-19)21-25-29(22(30)26(21)4)17-27-13-15-28(16-14-27)20-7-5-6-12-24-20/h5-12H,13-17H2,1-4H3