3-chloranyl-6-fluoranyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzothiophene-2-carboxamide Formula: C18H12ClFN4OS MolecularWeight: 386.830483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C18H12ClFN4OS/c1-9-21-17(24-23-9)10-3-2-4-12(7-10)22-18(25)16-15(19)13-6-5-11(20)8-14(13)26-16/h2-8H,1H3,(H,22,25)(H,21,23,24)