2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)C3CCCCC3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)C3CCCCC3

InChI

InChI=1S/C21H28N4O2S/c1-4-25-19(17-8-6-5-7-9-17)23-24-21(25)28-15(3)20(27)22-18-12-10-16(11-13-18)14(2)26/h10-13,15,17H,4-9H2,1-3H3,(H,22,27)