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

Systemtic Name: 2-[[4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-cyclopropyl-5-(3-methyl-4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-cyclopropyl-5-(3-methylmorpholino)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1C2=NN=C(N2C3CC3)SCC(=O)O

Isomeric SMILES

CC1COCCN1C2=NN=C(N2C3CC3)SCC(=O)O

InChI

InChI=1S/C12H18N4O3S/c1-8-6-19-5-4-15(8)11-13-14-12(20-7-10(17)18)16(11)9-2-3-9/h8-9H,2-7H2,1H3,(H,17,18)