(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C15H11N3O3S MolecularWeight: 313.33114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1=CSC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C15H11N3O3S/c19-13(14-2-1-7-22-14)8-21-15(20)11-3-5-12(6-4-11)18-10-16-9-17-18/h1-7,9-10H,8H2