2-[[5-(2-azanyl-5-phenyl-thiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(2-azanyl-5-phenyl-thiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-amino-5-phenyl-3-thienyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-amino-5-phenyl-3-thiophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-amino-5-phenylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-amino-5-phenyl-3-thienyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)C2=C(SC(=C2)C3=CC=CC=C3)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)C2=C(SC(=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C16H16N4O2S2/c1-2-20-15(18-19-16(20)23-9-13(21)22)11-8-12(24-14(11)17)10-6-4-3-5-7-10/h3-8H,2,9,17H2,1H3,(H,21,22)