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

Systemtic Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethanoylphenyl)propanamide Openeye Name: (2S)-N-(2-acetylphenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(2-acetylphenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-acetylphenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-acetylphenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=O)C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-14(27)18-10-6-7-11-19(18)23-21(28)15(2)29-22-24-20(16-12-13-16)26(25-22)17-8-4-3-5-9-17/h3-11,15-16H,12-13H2,1-2H3,(H,23,28)/t15-/m0/s1