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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS/c1-23-16(14-8-4-2-5-9-14)21-22-17(23)25-12-15(24)20-18(13-19)10-6-3-7-11-18/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,20,24)