N-(1-cyanocyclopentyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclopentyl)acetamide Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H21N5OS2/c22-15-21(10-4-5-11-21)23-18(27)14-29-20-25-24-19(17-9-6-12-28-17)26(20)13-16-7-2-1-3-8-16/h1-3,6-9,12H,4-5,10-11,13-14H2,(H,23,27)