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

Systemtic Name: 4-ethyl-5-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-phenyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H26N5S+ MolecularWeight: 380.52964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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