methyl 2-[({[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]benzoate

CAS: 339013-90-0

Formula: C13H10F3N3O3S2

SMILES: COC(=O)C1=C(SCC(=O)NC2=NN=C(S2)C(F)(F)F)C=CC=C1

IUPAC: methyl 2-[({[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]benzoate

InChI: InChI=1S/C13H10F3N3O3S2/c1-22-10(21)7-4-2-3-5-8(7)23-6-9(20)17-12-19-18-11(24-12)13(14,15)16/h2-5H,6H2,1H3,(H,17,19,20)

Composition: C (41.38%), H (2.67%), F (15.10%), N (11.14%), O (12.72%), S (16.99%)

Molar Mass: 377.36

Atom Count: 34

Heavy Atom Count: 24