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

Systemtic Name: N-[2-(4-ethoxyphenoxy)phenyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[2-(4-ethoxyphenoxy)phenyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[2-(4-ethoxyphenoxy)phenyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(4-ethoxyphenoxy)phenyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[2-(4-ethoxyphenoxy)phenyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4O3)CSC5=NC=NN5

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4O3)CSC5=NC=NN5

InChI

InChI=1S/C26H22N4O4S/c1-2-32-17-11-13-18(14-12-17)33-23-10-6-4-8-21(23)29-25(31)24-20(15-35-26-27-16-28-30-26)19-7-3-5-9-22(19)34-24/h3-14,16H,2,15H2,1H3,(H,29,31)(H,27,28,30)