2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C24H28N5OS+ MolecularWeight: 434.57702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H27N5OS/c30-22(28-15-13-27(14-16-28)17-19-7-3-1-4-8-19)18-31-24-25-23(20-11-12-20)29(26-24)21-9-5-2-6-10-21/h1-10,20H,11-18H2/p+1