4-(5-thiophen-2-yl-1,2,3-triazol-1-yl)benzoate

Systemtic Name: 4-(5-thiophen-2-yl-1,2,3-triazol-1-yl)benzoate Openeye Name: 4-[5-(2-thienyl)triazol-1-yl]benzoate CAS Name: 4-(5-thiophen-2-yl-1-triazolyl)benzoate IUPAC Name: 4-(5-thiophen-2-yltriazol-1-yl)benzoate Traditional Name: 4-[5-(2-thienyl)triazol-1-yl]benzoate Formula: C13H8N3O2S- MolecularWeight: 270.28652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CN=NN2C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CN=NN2C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C13H9N3O2S/c17-13(18)9-3-5-10(6-4-9)16-11(8-14-15-16)12-2-1-7-19-12/h1-8H,(H,17,18)/p-1