N-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-phenyl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-phenyl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C18H14N4O2S MolecularWeight: 350.39436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

InChI

InChI=1S/C18H14N4O2S/c23-17(21-12-6-2-1-3-7-12)16-14(10-25-18-19-11-20-22-18)13-8-4-5-9-15(13)24-16/h1-9,11H,10H2,(H,21,23)(H,19,20,22)