3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyloxy)phenyl]propanamide

Systemtic Name: 3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: 3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: 3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: 3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: 3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C16H13F3N4O2S2 MolecularWeight: 414.42523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C16H13F3N4O2S2/c17-16(18,19)25-11-5-3-10(4-6-11)20-13(24)7-8-23-14(21-22-15(23)26)12-2-1-9-27-12/h1-6,9H,7-8H2,(H,20,24)(H,22,26)