2-[[bis(2-methylpropyl)amino]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[bis(2-methylpropyl)amino]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(diisobutylamino)methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[bis(2-methylpropyl)amino]methyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[bis(2-methylpropyl)amino]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(diisobutylamino)methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H29N5S MolecularWeight: 395.56416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)CN1C(=S)N(C(=N1)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC(C)C)CN1C(=S)N(C(=N1)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5S/c1-17(2)14-25(15-18(3)4)16-26-22(28)27(20-10-6-5-7-11-20)21(24-26)19-9-8-12-23-13-19/h5-13,17-18H,14-16H2,1-4H3