2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-cyano-2-thienyl)acetamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C#N)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C#N)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N5OS2/c1-26-17(10-21-7-13-4-14(8-21)6-15(5-13)9-21)24-25-20(26)29-12-18(27)23-19-16(11-22)2-3-28-19/h2-3,13-15H,4-10,12H2,1H3,(H,23,27)