ethyl 2-[[5-[(4-fluorophenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-fluorophenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-fluorophenyl)-oxomethyl]amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C13H13FN4O3S MolecularWeight: 324.330723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H13FN4O3S/c1-2-21-10(19)7-22-13-16-12(17-18-13)15-11(20)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18,20)