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

Systemtic Name: 5-methyl-4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-phenyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-phenyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C18H21N7S MolecularWeight: 367.47124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H21N7S/c1-15-21-24(18(26)25(15)16-6-3-2-4-7-16)14-22-10-12-23(13-11-22)17-19-8-5-9-20-17/h2-9H,10-14H2,1H3