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

Systemtic Name: 5-(4-chlorophenyl)-4-phenyl-2-[(4-propylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-4-phenyl-2-[(4-propylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-phenyl-2-[(4-propyl-1-piperazin-4-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-phenyl-2-[(4-propylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-4-phenyl-2-[(4-propylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C22H27ClN5S+ MolecularWeight: 429.00128

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H26ClN5S/c1-2-12-25-13-15-26(16-14-25)17-27-22(29)28(20-6-4-3-5-7-20)21(24-27)18-8-10-19(23)11-9-18/h3-11H,2,12-17H2,1H3/p+1