(2R)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: (2R)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCCCC1=NC(=NN1)S[C@H](C)C(=O)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C17H22N4O2S/c1-4-5-6-15-19-17(21-20-15)24-12(3)16(23)18-14-9-7-13(8-10-14)11(2)22/h7-10,12H,4-6H2,1-3H3,(H,18,23)(H,19,20,21)/t12-/m1/s1