2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole; 2,2,2-trifluoroacetic acid CAS Name: 2-[2-(1-piperazinyl)ethylthio]-1H-benzimidazole; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole; 2,2,2-trifluoroacetic acid Traditional Name: 2-(2-piperazinoethylthio)-1H-benzimidazole; 2,2,2-trifluoroacetic acid Formula: C17H20F6N4O4S MolecularWeight: 490.420519

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCSC2=NC3=CC=CC=C3N2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1)CCSC2=NC3=CC=CC=C3N2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H18N4S.2C2HF3O2/c1-2-4-12-11(3-1)15-13(16-12)18-10-9-17-7-5-14-6-8-17;2*3-2(4,5)1(6)7/h1-4,14H,5-10H2,(H,15,16);2*(H,6,7)