ethanedioic acid; N-(3-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: ethanedioic acid; N-(3-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(3-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide; oxalic acid CAS Name: N-(3-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide; oxalic acid IUPAC Name: N-(3-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide; oxalic acid Traditional Name: N-(3-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide; oxalic acid Formula: C12H11FN4O5S MolecularWeight: 342.302943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC(=O)CSC2=NC=NN2.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)NC(=O)CSC2=NC=NN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H9FN4OS.C2H2O4/c11-7-2-1-3-8(4-7)14-9(16)5-17-10-12-6-13-15-10;3-1(4)2(5)6/h1-4,6H,5H2,(H,14,16)(H,12,13,15);(H,3,4)(H,5,6)