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

Systemtic Name: 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[cyclopropyl(isopentyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[cyclopropyl(3-methylbutyl)amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[cyclopropyl(isoamyl)amino]methyl]-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)CCN(CN1C(=S)N(C(=N1)C2=CN=CC=C2)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5S/c1-18(2)12-14-26(21-10-11-21)17-28-23(29)27(16-19-7-4-3-5-8-19)22(25-28)20-9-6-13-24-15-20/h3-9,13,15,18,21H,10-12,14,16-17H2,1-2H3