methyl 3-[4-(4-fluorophenyl)carbonyl-1,2,3-triazol-1-yl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(4-fluorophenyl)carbonyl-1,2,3-triazol-1-yl]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-fluorobenzoyl)triazol-1-yl]thiophene-2-carboxylate CAS Name: 3-[4-[(4-fluorophenyl)-oxomethyl]-1-triazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-fluorobenzoyl)triazol-1-yl]thiophene-2-carboxylate Traditional Name: 3-[4-(4-fluorobenzoyl)triazol-1-yl]thiophene-2-carboxylic acid methyl ester Formula: C15H10FN3O3S MolecularWeight: 331.321603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H10FN3O3S/c1-22-15(21)14-12(6-7-23-14)19-8-11(17-18-19)13(20)9-2-4-10(16)5-3-9/h2-8H,1H3