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

Systemtic Name: 2-[[5-(furan-2-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-furyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-furanyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(furan-2-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-furyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)O)C3=CC=CO3

InChI

InChI=1S/C16H15N3O3S/c20-14(21)11-23-16-18-17-15(13-7-4-10-22-13)19(16)9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H,20,21)