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

Systemtic Name: 4-methyl-2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[methyl-(2-pyrrolidinobenzyl)amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H26N6S MolecularWeight: 394.53634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CC2=CC=CC=C2N3CCCC3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CC2=CC=CC=C2N3CCCC3)C4=CC=NC=C4

InChI

InChI=1S/C21H26N6S/c1-24(15-18-7-3-4-8-19(18)26-13-5-6-14-26)16-27-21(28)25(2)20(23-27)17-9-11-22-12-10-17/h3-4,7-12H,5-6,13-16H2,1-2H3