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

Systemtic Name: N-butyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-butyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-butyl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-butyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-butyl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2S/c1-2-3-8-17-15(21)14-12(9-23-16-18-10-19-20-16)11-6-4-5-7-13(11)22-14/h4-7,10H,2-3,8-9H2,1H3,(H,17,21)(H,18,19,20)