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

Systemtic Name: N-(2-acetamidoethyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-(2-acetamidoethyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-(2-acetamidoethyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(2-acetamidoethyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(2-acetamidoethyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NN3

Isomeric SMILES

CC(=O)NCCNC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NN3

InChI

InChI=1S/C16H17N5O3S/c1-10(22)17-6-7-18-15(23)14-12(8-25-16-19-9-20-21-16)11-4-2-3-5-13(11)24-14/h2-5,9H,6-8H2,1H3,(H,17,22)(H,18,23)(H,19,20,21)