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

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[4-(diethylaminomethyl)benzyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

InChI

InChI=1S/C24H27N5O2S/c1-3-29(4-2)14-18-11-9-17(10-12-18)13-25-23(30)22-20(15-32-24-26-16-27-28-24)19-7-5-6-8-21(19)31-22/h5-12,16H,3-4,13-15H2,1-2H3,(H,25,30)(H,26,27,28)