2-[3-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid

Systemtic Name: 2-[3-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 2-[3-[2-oxo-2-(pentylamino)ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoic acid CAS Name: 2-[3-[[2-oxo-2-(pentylamino)ethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 2-[3-[2-oxo-2-(pentylamino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 2-[3-[[2-(amylamino)-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionic acid Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NN=C(N1C(C)C(=O)O)C2=CC=CS2

Isomeric SMILES

CCCCCNC(=O)CSC1=NN=C(N1C(C)C(=O)O)C2=CC=CS2

InChI

InChI=1S/C16H22N4O3S2/c1-3-4-5-8-17-13(21)10-25-16-19-18-14(12-7-6-9-24-12)20(16)11(2)15(22)23/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,21)(H,22,23)