N-(3-chloranyl-4-cyano-phenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3CCCCC3

InChI

InChI=1S/C20H22ClN5OS/c1-2-10-26-19(14-6-4-3-5-7-14)24-25-20(26)28-13-18(27)23-16-9-8-15(12-22)17(21)11-16/h2,8-9,11,14H,1,3-7,10,13H2,(H,23,27)