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

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H26N5S+ MolecularWeight: 380.52964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5S/c1-17-7-6-10-20(18(17)2)24-13-11-23(12-14-24)16-26-21(27)25(15-22-26)19-8-4-3-5-9-19/h3-10,15H,11-14,16H2,1-2H3/p+1