1-(2-thiophen-2-ylethyl)benzotriazole-5-carboxylate

Systemtic Name: 1-(2-thiophen-2-ylethyl)benzotriazole-5-carboxylate Openeye Name: 1-[2-(2-thienyl)ethyl]benzotriazole-5-carboxylate CAS Name: 1-(2-thiophen-2-ylethyl)-5-benzotriazolecarboxylate IUPAC Name: 1-(2-thiophen-2-ylethyl)benzotriazole-5-carboxylate Traditional Name: 1-[2-(2-thienyl)ethyl]benzotriazole-5-carboxylate Formula: C13H10N3O2S- MolecularWeight: 272.3024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCN2C3=C(C=C(C=C3)C(=O)[O-])N=N2

Isomeric SMILES

C1=CSC(=C1)CCN2C3=C(C=C(C=C3)C(=O)[O-])N=N2

InChI

InChI=1S/C13H11N3O2S/c17-13(18)9-3-4-12-11(8-9)14-15-16(12)6-5-10-2-1-7-19-10/h1-4,7-8H,5-6H2,(H,17,18)/p-1