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

Systemtic Name: 2-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-tert-butylbenzyl)-methyl-amino]methyl]-4-cyclopropyl-5-(3-pyridyl)-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)CN(C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

InChI

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