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

Systemtic Name: 5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-2-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H25ClN7OS+ MolecularWeight: 458.9875

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CN=C4)COC5=CC=CC=C5Cl

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CN=C4)COC5=CC=CC=C5Cl

InChI

InChI=1S/C21H24ClN7OS/c22-17-3-1-2-4-18(17)30-14-20-25-28(21(31)29(20)16-5-6-16)15-26-9-11-27(12-10-26)19-13-23-7-8-24-19/h1-4,7-8,13,16H,5-6,9-12,14-15H2/p+1