5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2-cyanoethyl)-N-(3-pyridylmethyl)furan-2-carboxamide CAS Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-2-furancarboxamide IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide Traditional Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-N-(2-cyanoethyl)-N-(3-pyridylmethyl)-2-furamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(O3)C(=O)N(CCC#N)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(O3)C(=O)N(CCC#N)CC4=CN=CC=C4

InChI

InChI=1S/C22H18N4O3S/c23-10-4-12-26(14-16-5-3-11-24-13-16)21(27)20-9-8-17(28-20)15-30-22-25-18-6-1-2-7-19(18)29-22/h1-3,5-9,11,13H,4,12,14-15H2