2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: N-(3-acetylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4CC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4CC4

InChI

InChI=1S/C21H20N4O2S/c1-13(26)16-8-5-9-17(12-16)22-20(27)18(14-6-3-2-4-7-14)28-21-23-19(24-25-21)15-10-11-15/h2-9,12,15,18H,10-11H2,1H3,(H,22,27)(H,23,24,25)