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

Systemtic Name: N-(pyridin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-(3-pyridylmethyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-(3-pyridinylmethyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(3-pyridylmethyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)NCC3=CN=CC=C3)CSC4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)NCC3=CN=CC=C3)CSC4=NC=NN4

InChI

InChI=1S/C18H15N5O2S/c24-17(20-9-12-4-3-7-19-8-12)16-14(10-26-18-21-11-22-23-18)13-5-1-2-6-15(13)25-16/h1-8,11H,9-10H2,(H,20,24)(H,21,22,23)