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

Systemtic Name: 2-[[(4-bromophenyl)methyl-cyclopropyl-amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-bromophenyl)methyl-cyclopropyl-amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-bromobenzyl)-cyclopropyl-amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H22BrN5S MolecularWeight: 444.39118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(CC2=CC=C(C=C2)Br)C3CC3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN(CC2=CC=C(C=C2)Br)C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C20H22BrN5S/c1-2-25-19(16-9-11-22-12-10-16)23-26(20(25)27)14-24(18-7-8-18)13-15-3-5-17(21)6-4-15/h3-6,9-12,18H,2,7-8,13-14H2,1H3