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

Systemtic Name: 4-ethyl-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[(4-isopropylphenyl)methyl-methyl-amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[(4-isopropylbenzyl)-methyl-amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H27N5S MolecularWeight: 381.53758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(C)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H27N5S/c1-5-25-20(19-10-12-22-13-11-19)23-26(21(25)27)15-24(4)14-17-6-8-18(9-7-17)16(2)3/h6-13,16H,5,14-15H2,1-4H3