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

Systemtic Name: 2-[[5-(3-methylmorpholin-4-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-isopropyl-5-(3-methylmorpholin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3-methyl-4-morpholinyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-methylmorpholin-4-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-isopropyl-5-(3-methylmorpholino)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1C2=NN=C(N2C(C)C)SCC(=O)O

Isomeric SMILES

CC1COCCN1C2=NN=C(N2C(C)C)SCC(=O)O

InChI

InChI=1S/C12H20N4O3S/c1-8(2)16-11(15-4-5-19-6-9(15)3)13-14-12(16)20-7-10(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)