2-[[4-(oxan-4-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(oxan-4-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(5-isopropyl-4-tetrahydropyran-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[4-(4-oxanyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(oxan-4-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(5-isopropyl-4-tetrahydropyran-4-yl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CCOCC2)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C2CCOCC2)SCC(=O)O

InChI

InChI=1S/C12H19N3O3S/c1-8(2)11-13-14-12(19-7-10(16)17)15(11)9-3-5-18-6-4-9/h8-9H,3-7H2,1-2H3,(H,16,17)