2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-4-oxidanyl-butanoic acid

Systemtic Name: 2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-4-oxidanyl-butanoic acid Openeye Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-4-hydroxy-butanoic acid CAS Name: 4-hydroxy-2-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanoic acid IUPAC Name: 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-hydroxybutanoic acid Traditional Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]-4-hydroxy-butyric acid Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SC(CCO)C(=O)O

Isomeric SMILES

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SC(CCO)C(=O)O

InChI

InChI=1S/C17H22N4O4S/c22-9-6-14(15(23)24)26-17-19-18-16(20-7-10-25-11-8-20)21(17)12-13-4-2-1-3-5-13/h1-5,14,22H,6-12H2,(H,23,24)