3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzofuran-2-carboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]coumarilamide Formula: C25H16ClF3N4O2S MolecularWeight: 528.93335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H16ClF3N4O2S/c26-16-6-8-17(9-7-16)36-12-19-18-3-1-2-4-22(18)35-23(19)24(34)32-20-11-15(25(27,28)29)5-10-21(20)33-14-30-13-31-33/h1-11,13-14H,12H2,(H,32,34)