5-(furan-2-yl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-methyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-4-methyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C16H19N7OS MolecularWeight: 357.43336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3)C4=CC=CO4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3)C4=CC=CO4

InChI

InChI=1S/C16H19N7OS/c1-20-14(13-4-2-11-24-13)19-23(16(20)25)12-21-7-9-22(10-8-21)15-17-5-3-6-18-15/h2-6,11H,7-10,12H2,1H3