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

Systemtic Name: 2-[[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C19H23BrN5S2+ MolecularWeight: 465.45342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=C(S3)Br)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=C(S3)Br)C4=CC=CC=C4

InChI

InChI=1S/C19H22BrN5S2/c1-22-18(15-5-3-2-4-6-15)21-25(19(22)26)14-24-11-9-23(10-12-24)13-16-7-8-17(20)27-16/h2-8H,9-14H2,1H3/p+1