2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C15H18N4O3S/c20-14(21)11-23-15-17-16-13(10-18-6-8-22-9-7-18)19(15)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,20,21)