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

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]coumarilamide Formula: C25H23F3N4O2S MolecularWeight: 500.53593

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)N5C=NC=N5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)N5C=NC=N5

InChI

InChI=1S/C25H23F3N4O2S/c26-25(27,28)16-10-11-21(32-15-29-14-30-32)20(12-16)31-24(33)23-19(13-35-17-6-2-1-3-7-17)18-8-4-5-9-22(18)34-23/h4-5,8-12,14-15,17H,1-3,6-7,13H2,(H,31,33)