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

Systemtic Name: N-(3-methylbutyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-isopentyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-(3-methylbutyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(3-methylbutyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-isoamyl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-11(2)7-8-18-16(22)15-13(9-24-17-19-10-20-21-17)12-5-3-4-6-14(12)23-15/h3-6,10-11H,7-9H2,1-2H3,(H,18,22)(H,19,20,21)