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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclohexyl)acetamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS/c1-2-25-17(13-16-9-5-3-6-10-16)23-24-19(25)27-14-18(26)22-20(15-21)11-7-4-8-12-20/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H,22,26)