1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]cyclopentanecarboxylic acid Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC2(CCCC2)C(=O)O

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC2(CCCC2)C(=O)O

InChI

InChI=1S/C13H20N4O3S/c1-9(2)17-8-14-16-12(17)21-7-10(18)15-13(11(19)20)5-3-4-6-13/h8-9H,3-7H2,1-2H3,(H,15,18)(H,19,20)