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

Systemtic Name: 5-(4-chlorophenyl)-4-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-4-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-phenyl-2-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-4-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C23H23ClN7S+ MolecularWeight: 464.99362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=NC=CN=C5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=NC=CN=C5

InChI

InChI=1S/C23H22ClN7S/c24-19-8-6-18(7-9-19)22-27-30(23(32)31(22)20-4-2-1-3-5-20)17-28-12-14-29(15-13-28)21-16-25-10-11-26-21/h1-11,16H,12-15,17H2/p+1