(2S)-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-propyl-propionamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H21N5O2S/c1-3-9-17-15(23)11(2)18-13(22)10-24-16-19-14(20-21-16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,23)(H,18,22)(H,19,20,21)/t11-/m0/s1