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

Systemtic Name: 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[cyclopropyl(isobutyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[cyclopropyl(2-methylpropyl)amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[cyclopropyl(isobutyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CN1C(=S)N(C(=N1)C2=CN=CC=C2)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C)CN(CN1C(=S)N(C(=N1)C2=CN=CC=C2)CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H27N5S/c1-17(2)14-25(20-10-11-20)16-27-22(28)26(15-18-7-4-3-5-8-18)21(24-27)19-9-6-12-23-13-19/h3-9,12-13,17,20H,10-11,14-16H2,1-2H3