N-aminocarbonyl-2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoylpropanamide IUPAC Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C18H15F2N5O2S MolecularWeight: 403.405806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H15F2N5O2S/c1-10(16(26)22-17(21)27)28-18-24-23-15(11-2-4-12(19)5-3-11)25(18)14-8-6-13(20)7-9-14/h2-10H,1H3,(H3,21,22,26,27)