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

Systemtic Name: 5-cyclopropyl-4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-phenyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-phenyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C20H23N7S MolecularWeight: 393.50852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C20H23N7S/c28-20-26(15-24-11-13-25(14-12-24)19-21-9-4-10-22-19)23-18(16-7-8-16)27(20)17-5-2-1-3-6-17/h1-6,9-10,16H,7-8,11-15H2