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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C)C2(CCCCC2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C)C2(CCCCC2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS/c1-3-25-18(16-10-6-4-7-11-16)22-23-19(25)27-14-17(26)24(2)20(15-21)12-8-5-9-13-20/h4,6-7,10-11H,3,5,8-9,12-14H2,1-2H3