4,5-dicyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-dicyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dicyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dicyclopropyl-2-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dicyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dicyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C17H24N7S+ MolecularWeight: 358.48436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCN(CC4)C5=NC=CN=C5

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCN(CC4)C5=NC=CN=C5

InChI

InChI=1S/C17H23N7S/c25-17-23(20-16(13-1-2-13)24(17)14-3-4-14)12-21-7-9-22(10-8-21)15-11-18-5-6-19-15/h5-6,11,13-14H,1-4,7-10,12H2/p+1