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

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(4-ethoxybenzyl)-N-methyl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

InChI

InChI=1S/C22H22N4O3S/c1-3-28-16-10-8-15(9-11-16)12-26(2)21(27)20-18(13-30-22-23-14-24-25-22)17-6-4-5-7-19(17)29-20/h4-11,14H,3,12-13H2,1-2H3,(H,23,24,25)