4-butyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C19H28N5O2S+ MolecularWeight: 390.52292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N5O2S/c1-2-3-9-24-18(26)20-21-19(24)27-15-17(25)23-12-10-22(11-13-23)14-16-7-5-4-6-8-16/h4-8H,2-3,9-15H2,1H3,(H,20,26)/p+1