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

Systemtic Name: 2-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-tert-butylbenzyl)-methyl-amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H29N5S MolecularWeight: 395.56416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(C)(C)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(C)(C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H29N5S/c1-6-26-20(18-11-13-23-14-12-18)24-27(21(26)28)16-25(5)15-17-7-9-19(10-8-17)22(2,3)4/h7-14H,6,15-16H2,1-5H3