2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-ethyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]methyl]-5-ethyl-1H-1,2,4-triazole-3-thione Formula: C15H19BrClN5O2S2 MolecularWeight: 480.83066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=S)N(N1)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CCC1=NC(=S)N(N1)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C15H19BrClN5O2S2/c1-2-14-18-15(25)22(19-14)10-20-5-7-21(8-6-20)26(23,24)13-4-3-11(16)9-12(13)17/h3-4,9H,2,5-8,10H2,1H3,(H,18,19,25)