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

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H28N4O2S/c1-17(30)19-13-15-21(16-14-19)26-24(31)18(2)32-25-28-27-23(20-9-5-3-6-10-20)29(25)22-11-7-4-8-12-22/h4,7-8,11-16,18,20H,3,5-6,9-10H2,1-2H3,(H,26,31)