4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C18H26N5S+ MolecularWeight: 344.49754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C(=S)N(C=N3)C4CC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C(=S)N(C=N3)C4CC4)C

InChI

InChI=1S/C18H25N5S/c1-14-4-3-5-17(15(14)2)21-10-8-20(9-11-21)13-23-18(24)22(12-19-23)16-6-7-16/h3-5,12,16H,6-11,13H2,1-2H3/p+1