(2S)-N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2S)-N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-[(E)-2-(2-thienyl)vinyl]-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H14ClF3N4OS2 MolecularWeight: 458.90817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)SC2=NNC(=N2)C=CC3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)SC2=NNC(=N2)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H14ClF3N4OS2/c1-10(16(27)23-14-6-4-11(19)9-13(14)18(20,21)22)29-17-24-15(25-26-17)7-5-12-3-2-8-28-12/h2-10H,1H3,(H,23,27)(H,24,25,26)/b7-5+/t10-/m0/s1