N-(1-cyanocyclopentyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C20H20N6O2S/c21-14-20(7-1-2-8-20)23-17(27)13-29-19-25-24-18(15-5-3-9-22-11-15)26(19)12-16-6-4-10-28-16/h3-6,9-11H,1-2,7-8,12-13H2,(H,23,27)