5-tert-butyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[(4-pyrazin-2-ylpiperazino)methyl]-1H-1,2,4-triazole-3-thione Formula: C15H23N7S MolecularWeight: 333.45502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C15H23N7S/c1-15(2,3)13-18-14(23)22(19-13)11-20-6-8-21(9-7-20)12-10-16-4-5-17-12/h4-5,10H,6-9,11H2,1-3H3,(H,18,19,23)