3-[(4-chlorophenyl)sulfanylmethyl]-N-(3-cyanothiophen-2-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(3-cyanothiophen-2-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(3-cyano-2-thienyl)benzofuran-2-carboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N-(3-cyano-2-thiophenyl)-2-benzofurancarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(3-cyanothiophen-2-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-(3-cyano-2-thienyl)coumarilamide Formula: C21H13ClN2O2S2 MolecularWeight: 424.92312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)NC3=C(C=CS3)C#N)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)NC3=C(C=CS3)C#N)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClN2O2S2/c22-14-5-7-15(8-6-14)28-12-17-16-3-1-2-4-18(16)26-19(17)20(25)24-21-13(11-23)9-10-27-21/h1-10H,12H2,(H,24,25)