2-[1-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]ethanoic acid Openeye Name: 2-[1-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid CAS Name: 2-[1-[[2-(cyclopentylamino)-2-oxoethyl]thio]-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid IUPAC Name: 2-[1-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid Traditional Name: 2-[1-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C17H19N5O3S/c23-14(18-11-5-1-2-6-11)10-26-17-20-19-16-21(9-15(24)25)12-7-3-4-8-13(12)22(16)17/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,23)(H,24,25)