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

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-acetylphenyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-N-(3-acetylphenyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C25H22N4O2S2 MolecularWeight: 474.59778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CC=CS5

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C25H22N4O2S2/c1-16(30)18-9-5-10-19(15-18)26-24(31)22(17-7-3-2-4-8-17)33-25-28-27-23(21-11-6-14-32-21)29(25)20-12-13-20/h2-11,14-15,20,22H,12-13H2,1H3,(H,26,31)/t22-/m0/s1