5-(2,4-dichlorophenyl)-4-phenyl-2-[(4-prop-2-ynylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(2,4-dichlorophenyl)-4-phenyl-2-[(4-prop-2-ynylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2,4-dichlorophenyl)-4-phenyl-2-[(4-prop-2-ynylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2,4-dichlorophenyl)-4-phenyl-2-[(4-prop-2-ynyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2,4-dichlorophenyl)-4-phenyl-2-[(4-prop-2-ynylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2,4-dichlorophenyl)-4-phenyl-2-[(4-propargylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C22H22Cl2N5S+ MolecularWeight: 459.41458

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C#CCN1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H21Cl2N5S/c1-2-10-26-11-13-27(14-12-26)16-28-22(30)29(18-6-4-3-5-7-18)21(25-28)19-9-8-17(23)15-20(19)24/h1,3-9,15H,10-14,16H2/p+1